(Q30360124)

20 June 2017

title

Outliers in SAR and QSAR: is unusual binding mode a possible source of outliers? (English)

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20 June 2017

Ki Hwan Kim

1

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20 June 2017

publication date

1 January 2007

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Journal of Computer - Aided Molecular Design

20 June 2017

published in

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20 June 2017

volume

21

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20 June 2017

issue

1-3

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20 June 2017

page(s)

63-86

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Dihydrofolate reductase as a therapeutic target

20 June 2017

cites work

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Detoxification of environmental mutagens and carcinogens: structure, mechanism, and evolution of liver epoxide hydrolase

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Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design

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Comparison of the NMR solution structure and the x-ray crystal structure of rat metallothionein-2

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12 December 2020

Binding of alkylurea inhibitors to epoxide hydrolase implicates active site tyrosines in substrate activation

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12 December 2020

X-Ray crystal structures of Candida albicans dihydrofolate reductase: high resolution ternary complexes in which the dihydronicotinamide moiety of NADPH is displaced by an inhibitor

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Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II

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12 December 2020

N-(Hydroxyaminocarbonyl)phenylalanine: a novel class of inhibitor for carboxypeptidase A.

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12 December 2020

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12 December 2020

Crystal structures of substrate and substrate analog complexes of protocatechuate 3,4-dioxygenase: endogenous Fe3+ ligand displacement in response to substrate binding

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Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein

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Probing molecular docking in a charged model binding site

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12 December 2020

Conformational flexibility in the apolipoprotein E amino-terminal domain structure determined from three new crystal forms: Implications for lipid binding

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12 December 2020

A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity

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12 December 2020

Thermolysin: a peptide forming enzyme

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12 December 2020

Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants

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12 December 2020

Structural and virological studies of the stages of virus replication that are affected by antirhinovirus compounds

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C-QSAR: a database of 18,000 QSARs and associated biological and physical data

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12 December 2020

Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site

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Nitric oxide: a review of its role in retinal function and disease.

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12 December 2020

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Structural analysis of antiviral agents that interact with the capsid of human rhinoviruses

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12 December 2020

Ligand-induced conformational changes in poliovirus-antiviral drug complexes

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12 December 2020

Analysis of three structurally related antiviral compounds in complex with human rhinovirus 16

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12 December 2020

Cytochrome c in the apoptotic and antioxidant cascades

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Plasmodium falciparum glutathione S-transferase--structural and mechanistic studies on ligand binding and enzyme inhibition

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Crystal structure of interleukin 8: symbiosis of NMR and crystallography

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12 December 2020

A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A

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12 December 2020

Comparison of protein structures determined by NMR in solution and by X-ray diffraction in single crystals

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12 December 2020

The treatment of rhinovirus infections: progress and potential

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12 December 2020

The site of attachment in human rhinovirus 14 for antiviral agents that inhibit uncoating

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12 December 2020

X-ray crystallographic studies of Candida albicans dihydrofolate reductase. High resolution structures of the holoenzyme and an inhibited ternary complex

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12 December 2020

Small molecule binding to an artificially created cavity at the active site of cytochrome c peroxidase

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12 December 2020

Protease inhibitors as antiviral agents.

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12 December 2020

Sulfamide-based inhibitors for carboxypeptidase A. Novel type transition state analogue inhibitors for zinc proteases

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12 December 2020

Insight into the stereochemistry in the inhibition of carboxypeptidase A with N-(hydroxyaminocarbonyl)phenylalanine: binding modes of an enantiomeric pair of the inhibitor to carboxypeptidase A

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12 December 2020

Structure of human epoxide hydrolase reveals mechanistic inferences on bifunctional catalysis in epoxide and phosphate ester hydrolysis

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12 December 2020

Automated NOESY interpretation with ambiguous distance restraints: the refined NMR solution structure of the pleckstrin homology domain from beta-spectrin

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12 December 2020

The novel binding mode of N-alkyl-N'-hydroxyguanidine to neuronal nitric oxide synthase provides mechanistic insights into NO biosynthesis

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12 December 2020

10.1007/S10822-007-9106-2

Identifiers

DOI

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20 June 2017

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DBLP Dataset 2021-01-02

28 January 2021

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