(Q38335784)

2 September 2017

1 reference

title

Molecular recognition in chemical and biological systems (English)

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2 September 2017

3

François Diederich

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2 September 2017

Elke Persch

1

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2 September 2017

Oliver Dumele

series ordinal

2

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2 September 2017

language of work or name

English

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publication date

28 January 2015

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Angewandte Chemie International Edition

2 September 2017

published in

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volume

54

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2 September 2017

issue

11

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2 September 2017

page(s)

3290-3327

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Small molecule conformational preferences derived from crystal structure data. A medicinal chemistry focused analysis

2 September 2017

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Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors

21 January 2018

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Limitations and lessons in the use of X-ray structural information in drug design

21 January 2018

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Progress in structure based drug design for G protein-coupled receptors

21 January 2018

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Rational approaches to improving selectivity in drug design

21 January 2018

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Current and emerging opportunities for molecular simulations in structure-based drug design

21 January 2018

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Just add water! The effect of water on the specificity of protein-ligand binding sites and its potential application to drug design

21 January 2018

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Water: From Clusters to the Bulk

21 January 2018

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Water, water everywhere--except where it matters?

21 January 2018

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Water as an active constituent in cell biology

21 January 2018

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Supramolecular Chemistry—Scope and Perspectives Molecules, Supermolecules, and Molecular Devices(Nobel Lecture)

21 January 2018

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Supramolekulare Chemie – Moleküle, Übermoleküle und molekulare Funktionseinheiten (Nobel-Vortrag)

21 January 2018

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125 years of chemistry in the mirror of "angewandte".

21 January 2018

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125 Jahre Chemie im Spiegel der “Angewandten”

21 January 2018

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Acetylcholine binding by a synthetic receptor: implications for biological recognition

21 January 2018

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21 January 2018

The cation-π interaction

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https://api.crossref.org/works/10.1002%2FANIE.201408487

Some factors in the interpretation of protein denaturation

21 January 2018

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https://api.crossref.org/works/10.1002%2FANIE.201408487

Interactions with aromatic rings in chemical and biological recognition

21 January 2018

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https://api.crossref.org/works/10.1002%2FANIE.201408487

Win some, lose some: enthalpy-entropy compensation in weak intermolecular interactions

21 January 2018

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https://api.crossref.org/works/10.1002%2FANIE.201408487

The paradoxical thermodynamic basis for the interaction of ethylene glycol, glycine, and sarcosine chains with bovine carbonic anhydrase II: an unexpected manifestation of enthalpy/entropy compensation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Conformational entropy in molecular recognition by proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Do enthalpy and entropy distinguish first in class from best in class?

21 January 2018

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https://api.crossref.org/works/10.1002%2FANIE.201408487

Entropy-enthalpy compensation: role and ramifications in biomolecular ligand recognition and design

21 January 2018

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https://api.crossref.org/works/10.1002%2FANIE.201408487

Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing the Length of an Alkyl Chain

21 January 2018

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https://api.crossref.org/works/10.1002%2FANIE.201408487

Stepwise-resolved thermodynamics of hydrophobic self-assembly

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Molecular recognition and ligand association

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Aromatic rings in chemical and biological recognition: energetics and structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

21 January 2018

Aromatic interactions.

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Simultaneous encapsulation: molecules held at close range

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Structure and binding properties of water-soluble cavitands and capsules

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Molecular behavior in small spaces

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

More chemistry in small spaces.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Recent highlights in hemicarcerand chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Reversible guest exchange mechanisms in supramolecular host-guest assemblies.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Functional molecular flasks: new properties and reactions within discrete, self-assembled hosts.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Biomedical and biochemical applications of self-assembled metallacycles and metallacages

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Building on architectural principles for three-dimensional metallosupramolecular construction.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

A fluorine scan of thrombin inhibitors to map the fluorophilicity/fluorophobicity of an enzyme active site: evidence for C-F...C=O interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Fluorine interactions at the thrombin active site: protein backbone fragments H-C(alpha)-C=O comprise a favorable C-F environment and interactions of C-F with electrophiles

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Orthogonal multipolar interactions in structural chemistry and biology

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Nature of amide carbonyl--carbonyl interactions in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Systematic investigation of halogen bonding in protein-ligand interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Halogen bonding at the active sites of human cathepsin L and MEK1 kinase: efficient interactions in different environments

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Highly organized spherical hosts that bind organic guests in aqueous solution with micromolar affinity: microcalorimetry studies

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Binding mechanisms in supramolecular complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

The Mechanism of Hydrophobic Solvation Depends on Solute Radius

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

How Can Hydrophobic Association Be Enthalpy Driven?

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

The cucurbit[n]uril family

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

New ultrahigh affinity host-guest complexes of cucurbit[7]uril with bicyclo[2.2.2]octane and adamantane guests: thermodynamic analysis and evaluation of M2 affinity calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

The inverted cucurbit[n]uril family

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Cucurbit[8]uril and blue-box: high-energy water release overwhelms electrostatic interactions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

External and internal guest binding of a highly charged supramolecular host in water: deconvoluting the very different thermodynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Cucurbit[7]uril⋅guest pair with an attomolar dissociation constant.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Water-protein interactions from high-resolution protein crystallography

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

The Entropic Cost of Bound Water in Crystals and Biomolecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

WaterScore: a novel method for distinguishing between bound and displaceable water molecules in the crystal structure of the binding site of protein-ligand complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Modeling water molecules in protein-ligand docking using GOLD.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Exploiting ordered waters in molecular docking

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Energetics of displacing water molecules from protein binding sites: consequences for ligand optimization

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

The role of water molecules in computational drug design

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Water in cavity-ligand recognition

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Ligand binding to protein-binding pockets with wet and dry regions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Free enthalpies of replacing water molecules in protein binding pockets

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Contributions of water transfer energy to protein-ligand association and dissociation barriers: Watermap analysis of a series of p38α MAP kinase inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Hydration properties of ligands and drugs in protein binding sites: tightly-bound, bridging water molecules and their effects and consequences on molecular design strategies.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Roles for Ordered and Bulk Solvent in Ligand Recognition and Docking in Two Related Cavities

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Combining solvent thermodynamic profiles with functionality maps of the Hsp90 binding site to predict the displacement of water molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Inhibitors of the herbicidal target IspD: allosteric site binding

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Structure-based design, synthesis, and in vitro evaluation of bisubstrate inhibitors for catechol O-methyltransferase (COMT).

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Bisubstrate inhibitors for the enzyme catechol-O-methyltransferase (COMT): influence of inhibitor preorganisation and linker length between the two substrate moieties on binding affinity

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Crystal structure of catechol O-methyltransferase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Tolcapone: a review of its use in the management of Parkinson's disease

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Molecular recognition at the active site of catechol-O-methyltransferase (COMT): adenine replacements in bisubstrate inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Mapping the conformational space accessible to catechol-O-methyltransferase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Potent inhibitors of tRNA-guanine transglycosylase, an enzyme linked to the pathogenicity of the Shigella bacterium: charge-assisted hydrogen bonding

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

High-affinity inhibitors of tRNA-guanine transglycosylase replacing the function of a structural water cluster

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Crystal structure analysis and in silico pKa calculations suggest strong pKa shifts of ligands as driving force for high-affinity binding to TGT

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

A new target for shigellosis: rational design and crystallographic studies of inhibitors of tRNA-guanine transglycosylase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

How to replace the residual solvation shell of polar active site residues to achieve nanomolar inhibition of tRNA-guanine transglycosylase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Launching spiking ligands into a protein-protein interface: a promising strategy to destabilize and break interface formation in a tRNA modifying enzyme

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

From lin-benzoguanines to lin-benzohypoxanthines as ligands for Zymomonas mobilis tRNA-guanine transglycosylase: replacement of protein-ligand hydrogen bonding by importing water clusters

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase and their implications for substrate selectivity, reaction mechanism and structure-based drug design

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Flooding enzymes: quantifying the contributions of interstitial water and cavity shape to ligand binding using extended linear response free energy calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Nexus between protein-ligand affinity rank-ordering, biophysical approaches, and drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Chasing protons: how isothermal titration calorimetry, mutagenesis, and pKa calculations trace the locus of charge in ligand binding to a tRNA-binding enzyme

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Beyond affinity: enthalpy-entropy factorization unravels complexity of a flat structure-activity relationship for inhibition of a tRNA-modifying enzyme

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Carbonic anhydrase as a model for biophysical and physical-organic studies of proteins and protein-ligand binding

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Water networks contribute to enthalpy/entropy compensation in protein-ligand binding

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

The binding of benzoarylsulfonamide ligands to human carbonic anhydrase is insensitive to formal fluorination of the ligand

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: binding of phosphonamidate to the S₁'-pocket of thermolysin

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Dissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysin

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Methyl, ethyl, propyl, butyl: futile but not for water, as the correlation of structure and thermodynamic signature shows in a congeneric series of thermolysin inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand binding

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Water mediated ligand functional group cooperativity: the contribution of a methyl group to binding affinity is enhanced by a COO(-) group through changes in the structure and thermodynamics of the hydration waters of ligand-thermolysin complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Structure-based drug design: exploring the proper filling of apolar pockets at enzyme active sites

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Einfluss der Configuration auf die Wirkung der Enzyme

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Molecular Shape and Medicinal Chemistry: A Perspective

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

PocketPicker: analysis of ligand binding-sites with shape descriptors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Pocket-based drug design: exploring pocket space

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Cavitands: organic hosts with enforced cavities

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Helical conformation of alkanes in a hydrophobic cavitand

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Self-fulfilling cavitands: packing alkyl chains into small spaces

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Das letzte Alkan mit gestreckter Grundzustandskonformation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Development of redox-switchable resorcin[4]arene cavitands

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

CH-π hydrogen bonds in biological macromolecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

The discovery of a mevalonate-independent pathway for isoprenoid biosynthesis in bacteria, algae and higher plants

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Elucidation of the methylerythritol phosphate pathway for isoprenoid biosynthesis in bacteria and plastids. A metabolic milestone achieved through genomics.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Biosynthesis of isoprenoids via the non-mevalonate pathway

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Biochemistry of the non-mevalonate isoprenoid pathway

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Druggability of the enzymes of the non-mevalonate-pathway

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Inhibitors of the nonmevalonate pathway of isoprenoid biosynthesis as antimalarial drugs

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Phosphate recognition in structural biology

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Biosynthesis of isoprenoids: Crystal structure of 4-diphosphocytidyl-2C-methyl-D-erythritol kinase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Crystal structure of 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol kinase, an enzyme in the non-mevalonate pathway of isoprenoid synthesis

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Synthesis and characterization of cytidine derivatives that inhibit the kinase IspE of the non-mevalonate pathway for isoprenoid biosynthesis

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Characterization of Aquifex aeolicus 4-diphosphocytidyl-2C-methyl-d-erythritol kinase - ligand recognition in a template for antimicrobial drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

A triclinic crystal form ofEscherichia coli4-diphosphocytidyl-2C-methyl-D-erythritol kinase and reassessment of the quaternary structure

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Crystal structure of 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (IspE) from Mycobacterium tuberculosis.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

The evolution of protein kinase inhibitors from antagonists to agonists of cellular signaling

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Protein kinase inhibitors in the treatment of inflammatory and autoimmune diseases

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Fluorescent nucleic acid base analogues

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Pyrimidine-fused heterocyclic frameworks based on an N4-arylcytosine scaffold: synthesis, characterization, and PNA oligomerization of the fluorescent cytosine analogue 5,6-benzopC.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Chromone-fused cytosine analogues: synthesis, biological activity, and structure-activity relationship.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

The role of DNA methylation in mammalian epigenetics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Selective detection of 5-methylcytosine sites in DNA.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Molecular signals of epigenetic states

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Epigenetic reprogramming in plant and animal development

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

5-Hydroxymethylcytosine, the sixth base of the genome

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Nonphosphate inhibitors of IspE protein, a kinase in the non-mevalonate pathway for isoprenoid biosynthesis and a potential target for antimalarial therapy.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Inhibitors of the kinase IspE: structure-activity relationships and co-crystal structure analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

IspE inhibitors identified by a combination of in silico and in vitro high-throughput screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Spirocyclic oxetanes: synthesis and properties

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Oxetanes in drug discovery: structural and synthetic insights

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

An AAAA–DDDD quadruple hydrogen-bond array

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Methyl effects on protein-ligand binding

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

The MEP pathway and the development of inhibitors as potential anti-infective agents

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Structure of 2C-methyl-D-erythritol 2,4- cyclodiphosphate synthase: an essential enzyme for isoprenoid biosynthesis and target for antimicrobial drug development

21 January 2018

1 reference

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Structure of 2C-methyl-d-erythritol-2,4-cyclodiphosphate synthase involved in mevalonate-independent biosynthesis of isoprenoids

21 January 2018

1 reference

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The non-mevalonate pathway of isoprenoid precursor biosynthesis.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Fluorescent inhibitors for IspF, an enzyme in the non-mevalonate pathway for isoprenoid biosynthesis and a potential target for antimalarial therapy.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Crystal structures of IspF from Plasmodium falciparum and Burkholderia cenocepacia: comparisons inform antimicrobial drug target assessment

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Structure and mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase. An enzyme in the mevalonate-independent isoprenoid biosynthetic pathway

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

A double mutation of Escherichia coli2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase disrupts six hydrogen bonds with, yet fails to prevent binding of, an isoprenoid diphosphate.

21 January 2018

1 reference

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Bisubstrate inhibitors of catechol O-methyltransferase (COMT): the crucial role of the ribose structural unit for inhibitor binding affinity

21 January 2018

1 reference

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A Structure-Based Approach to Ligand Discovery for 2 C -Methyl- d -erythritol-2,4-cyclodiphosphate Synthase: A Target for Antimicrobial Therapy †

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Thiazolopyrimidine inhibitors of 2-methylerythritol 2,4-cyclodiphosphate synthase (IspF) from Mycobacterium tuberculosis and Plasmodium falciparum

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Trypanothione: a novel bis(glutathionyl)spermidine cofactor for glutathione reductase in trypanosomatids

21 January 2018

1 reference

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Crystal structure of Trypanosoma cruzi trypanothione reductase in complex with trypanothione, and the structure-based discovery of new natural product inhibitors

21 January 2018

1 reference

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Diaryl sulfide-based inhibitors of trypanothione reductase: inhibition potency, revised binding mode and antiprotozoal activities

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Two interacting binding sites for quinacrine derivatives in the active site of trypanothione reductase: a template for drug design

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Synthesis and evaluation of substrate analogue inhibitors of trypanothione reductase.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Inhibition of Leishmania infantum trypanothione reductase by azole-based compounds: a comparative analysis with its physiological substrate by X-ray crystallography

21 January 2018

1 reference

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Improved tricyclic inhibitors of trypanothione reductase by screening and chemical synthesis

21 January 2018

1 reference

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Synthesis and evaluation of 1-(1-(Benzo[b]thiophen-2-yl)cyclohexyl)piperidine (BTCP) analogues as inhibitors of trypanothione reductase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Novel inhibitor for prolyl tripeptidyl aminopeptidase from Porphyromonas gingivalis and details of substrate-recognition mechanism

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Dihydroquinazolines as a Novel Class of Trypanosoma brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of their Binding Mode by Protein Crystallography

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Antitrypanosomal, antileishmanial, and antimalarial activities of quaternary arylalkylammonium 2-amino-4-chlorophenyl phenyl sulfides, a new class of trypanothione reductase inhibitor, and of N-acyl derivatives of 2-amino-4-chlorophenyl phenyl sulfi

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Betraying the parasite's redox system: diaryl sulfide-based inhibitors of trypanothione reductase: subversive substrates and antitrypanosomal properties

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Synthesis, inhibition potency, binding mode, and antiprotozoal activities of fluorescent inhibitors of trypanothione reductase based on mepacrine-conjugated diaryl sulfide scaffolds

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

The maximal affinity of ligands

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Ligand efficiency: a useful metric for lead selection

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

The influence of drug-like concepts on decision-making in medicinal chemistry

21 January 2018

1 reference

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The influence of lipophilicity in drug discovery and design

21 January 2018

1 reference

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Rapid assessment of a novel series of selective CB(2) agonists using parallel synthesis protocols: A Lipophilic Efficiency (LipE) analysis

21 January 2018

1 reference

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Oral, direct thrombin and factor Xa inhibitors: the replacement for warfarin, leeches, and pig intestines?

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

The pharmacology of novel oral anticoagulants

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Cation-pi interactions at the active site of factor Xa: dramatic enhancement upon stepwise N-alkylation of ammonium ions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Molecular recognition at the active site of factor Xa: cation-π interactions, stacking on planar peptide surfaces, and replacement of structural water

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Comparison of C-H...pi and hydrophobic interactions in a beta-hairpin peptide: impact on stability and specificity

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Influence of N-methylation on a cation-pi interaction produces a remarkably stable beta-hairpin peptide

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Recognition of trimethyllysine by a chromodomain is not driven by the hydrophobic effect

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Discovery of a factor Xa inhibitor (3R,4R)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide] 4-[[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide] as a clinical candidate

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Discovery of the novel antithrombotic agent 5-chloro-N-({(5S)-2-oxo-3- [4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene- 2-carboxamide (BAY 59-7939): an oral, direct factor Xa inhibitor

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Structure-based design of potent, amidine-derived inhibitors of factor Xa: evaluation of selectivity, anticoagulant activity, and antithrombotic activity

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Evidence for C-Cl/C-Br...pi interactions as an important contribution to protein-ligand binding affinity.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Structure of human des(1-45) factor Xa at 2.2 A resolution

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Rationalizing tight ligand binding through cooperative interaction networks

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

21 January 2018

Evolution of Networks

1 reference

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Conformational analysis of drug-like molecules bound to proteins: an extensive study of ligand reorganization upon binding

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Efficient stacking on protein amide fragments

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Aliskiren: the first renin inhibitor for clinical treatment

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Direct Renin Inhibitors as a New Therapy for Hypertension

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Novel therapeutic targets for the treatment of heart failure.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Fifteen years of HIV Protease Inhibitors: raising the barrier to resistance

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Looking at the proteases from a simple perspective.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

The structural biology of HIV-1: mechanistic and therapeutic insights

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Developing β-secretase inhibitors for treatment of Alzheimer's disease

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Alzheimer's disease, enzyme targets and drug discovery struggles: from natural products to drug prototypes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Function, therapeutic potential and cell biology of BACE proteases: current status and future prospects

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Plasmepsins as potential targets for new antimalarial therapy

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Microbial and fungal protease inhibitors--current and potential applications

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Structural studies of vacuolar plasmepsins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Plasmepsin Inhibitory Activity and Structure-Guided Optimization of a Potent Hydroxyethylamine-Based Antimalarial Hit

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

X-ray structure of plasmepsin II complexed with a potent achiral inhibitor

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Crystal structure of the novel aspartic proteinase zymogen proplasmepsin II from plasmodium falciparum

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Starving the malaria parasite: inhibitors active against the aspartic proteases plasmepsins I, II, and IV.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Exploring the flap pocket of the antimalarial target plasmepsin II: the "55 % rule" applied to enzymes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

New organofluorine building blocks: inhibition of the malarial aspartic proteases plasmepsin II and IV by alicyclic alpha,alpha-difluoroketone hydrates

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Recent initiatives and strategies to developing new drugs for tropical parasitic diseases

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Neglected tropical diseases: multi-target-directed ligands in the search for novel lead candidates against Trypanosoma and Leishmania

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Falcipains, Plasmodium falciparum cysteine proteases as key drug targets against malaria.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Inhibition of rhodesain as a novel therapeutic modality for human African trypanosomiasis

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Falcipain inhibitors as potential therapeutics for resistant strains of malaria: a patent review.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Trypanosoma brucei: killing of bloodstream forms in vitro and in vivo by the cysteine proteinase inhibitor Z-phe-ala-CHN2.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Characterization of native and recombinant falcipain-2, a principal trophozoite cysteine protease and essential hemoglobinase of Plasmodium falciparum

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Optimization of triazine nitriles as rhodesain inhibitors: structure-activity relationships, bioisosteric imidazopyridine nitriles, and X-ray crystal structure analysis with human cathepsin L

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Vinyl Sulfones as Antiparasitic Agents and a Structural Basis for Drug Design

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Crystal Structures of TbCatB and Rhodesain, Potential Chemotherapeutic Targets and Major Cysteine Proteases of Trypanosoma brucei

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Structural and functional characterization of Falcipain-2, a hemoglobinase from the malarial parasite Plasmodium falciparum

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Structural basis for unique mechanisms of folding and hemoglobin binding by a malarial protease

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

The structure of chagasin in complex with a cysteine protease clarifies the binding mode and evolution of an inhibitor family

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Structures of Falcipain-2 and Falcipain-3 Bound to Small Molecule Inhibitors: Implications for Substrate Specificity ‡

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Structural basis for the regulation of cysteine-protease activity by a new class of protease inhibitors in Plasmodium

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Substrate mapping and inhibitor profiling of falcipain-2, falcipain-3 and berghepain-2: implications for peptidase anti-malarial drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Applications of the Cambridge Structural Database in organic chemistry and crystal chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Intimate interactions with carbonyl groups: dipole-dipole or n→π*?

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

From crystal statics to chemical dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Signature of n→π* interactions in α-helices

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Interplay of hydrogen bonds and n→π* interactions in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Signatures of n→π* interactions in proteins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Chemical double-mutant cycles: dissecting non-covalent interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Molecular Torsion Balance for Weak Molecular Recognition Forces. Effects of "Tilted-T" Edge-to-Face Aromatic Interactions on Conformational Selection and Solid-State Structure

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Molecular torsion balances: evidence for favorable orthogonal dipolar interactions between organic fluorine and amide groups

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Orthogonal dipolar interactions between amide carbonyl groups

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Self-association based on orthogonal C=O...C=O interactions in the solid and liquid state

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Fluorine in pharmaceuticals: looking beyond intuition

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Direct thrombin inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

A small molecule-kinase interaction map for clinical kinase inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Rational design of inhibitors that bind to inactive kinase conformations

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Characterization of AMN107, a selective inhibitor of native and mutant Bcr-Abl.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Angular preferences of intermolecular forces around halogen centers: preferred directions of approach of electrophiles and nucleophiles around carbon-halogen bond

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Halogen bonding in supramolecular chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Ab initio study of the complexes of halogen-containing molecules RX (X=Cl, Br, and I) and NH3: towards understanding the nature of halogen bonding and the electron-accepting propensities of covalently bonded halogen atoms.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Ab initio investigation of the complexes between bromobenzene and several electron donors: some insights into the magnitude and nature of halogen bonding interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Investigations into the Nature of Halogen Bonding Including Symmetry Adapted Perturbation Theory Analyses

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

On the physical nature of halogen bonds: a QTAIM study

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Structural aspects of interatomic charge-transfer bonding

21 January 2018

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https://api.crossref.org/works/10.1002%2FANIE.201408487

Halogen bonding: a paradigm in supramolecular chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Halogen bonding based recognition processes: a world parallel to hydrogen bonding

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Preparation of poly(diiododiacetylene), an ordered conjugated polymer of carbon and iodine

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

The halogen bond in the design of functional supramolecular materials: recent advances

21 January 2018

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https://api.crossref.org/works/10.1002%2FANIE.201408487

Halogen bonding and the design of new materials: organic bromides, chlorides and perhaps even fluorides as donors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

3D-QSAR based on quantum-chemical molecular fields: toward an improved description of halogen interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

On Extension of the Current Biomolecular Empirical Force Field for the Description of Halogen Bonds

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Halogen bonding in solution.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Halogen bonding in solution: thermodynamics and applications

21 January 2018

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https://api.crossref.org/works/10.1002%2FANIE.201408487

Enhancement of anion recognition exhibited by a halogen-bonding rotaxane host system

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

A catenane assembled through a single charge-assisted halogen bond.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Organocatalysis by neutral multidentate halogen-bond donors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Halogen-bonding-induced hydrogen transfer to C═N bond with Hantzsch ester.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Metal fluorides form strong hydrogen bonds and halogen bonds: measuring interaction enthalpies and entropies in solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Non-covalent interactions between iodo-perfluorocarbons and hydrogen bond acceptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Thermodynamics of halogen bonding in solution: substituent, structural, and solvent effects

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Metal hydrides form halogen bonds: measurement of energetics of binding

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Halogen bonds in biological molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Halogen bonding--a novel interaction for rational drug design?

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Using halogen bonds to address the protein backbone: a systematic evaluation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Principles and applications of halogen bonding in medicinal chemistry and chemical biology

21 January 2018

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https://api.crossref.org/works/10.1002%2FANIE.201408487

Halogen bonds as orthogonal molecular interactions to hydrogen bonds.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

4-anilino-5-carboxamido-2-pyridone derivatives as noncompetitive inhibitors of mitogen-activated protein kinase kinase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Crystal structures of MEK1 binary and ternary complexes with nucleotides and inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

From basic research to clinical development of MEK1/2 inhibitors for cancer therapy

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Selectivity of 4,5,6,7-tetrabromobenzotriazole, an ATP site-directed inhibitor of protein kinase CK2 ('casein kinase-2').

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Alternative binding modes of an inhibitor to two different kinases

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Halogen bonds form the basis for selective P-TEFb inhibition by DRB

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Transcription regulation through promoter-proximal pausing of RNA polymerase II.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Pseudilins: halogenated, allosteric inhibitors of the non-mevalonate pathway enzyme IspD

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

In search of new herbicidal inhibitors of the non-mevalonate pathway

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FANIE.201408487

Agrochemicals against malaria, sleeping sickness, leishmaniasis and Chagas disease

21 January 2018

1 reference

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Substituent effects in pi-pi interactions: sandwich and T-shaped configurations.

21 January 2018

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Understanding of assembly phenomena by aromatic-aromatic interactions: benzene dimer and the substituted systems

21 January 2018

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Optimal π-Stacking Interaction Energies in Parallel-Displaced Aryl/Aryl Dimers are Predicted by the Dimer Heavy Atom Count

21 January 2018

1 reference

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New insights into the role of water in biological function: studying solvated biomolecules using terahertz absorption spectroscopy in conjunction with molecular dynamics simulations.

21 January 2018

1 reference

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Medicinal chemistry of catechol O-methyltransferase (COMT) inhibitors and their therapeutic utility

21 January 2018

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Halogen Bonding of (Iodoethynyl)benzene Derivatives in Solution

21 January 2018

1 reference

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Self-Assembly of M24L48 Polyhedra Based on Empirical Prediction

21 January 2018

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Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine

21 January 2018

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Impact of protein and ligand impurities on ITC-derived protein-ligand thermodynamics

21 January 2018

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Supramolecular balance: using cooperativity to amplify weak interactions

21 January 2018

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Is it the shape of the cavity, or the shape of the water in the cavity?

21 January 2018

1 reference

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Br···O Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone

21 January 2018

1 reference

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Improved Inhibitors of Trypanothione Reductase by Combination of Motifs: Synthesis, Inhibitory Potency, Binding Mode, and Antiprotozoal Activities

21 January 2018

1 reference

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Systematic analysis of structural data as a research technique in organic chemistry

21 January 2018

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COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/AR00089A001

Definition of the halogen bond (IUPAC Recommendations 2013)

5 March 2023

1 reference

20 August 2023

https://opencitations.net/index/coci/api/v1/citations/10.1351/PAC-REC-12-05-10

The Structure of Bromine 1,4-Dioxanate

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31 May 2024

https://opencitations.net/index/api/v1/citations/10.3891/ACTA.CHEM.SCAND.08-0873

Identifiers

DOI

10.1002/ANIE.201408487

1 reference

2 September 2017

1 reference