(Q35590761)

9 August 2017

1 reference

title

Structure/function correlations of proteins using MM, QM/MM, and related approaches: methods, concepts, pitfalls, and current progress (English)

1 reference

9 August 2017

2

Warshel A

1 reference

9 August 2017

Shurki A

1

1 reference

PubMed ID

14631821

9 August 2017

language of work or name

1 reference

1 January 2003

1 reference

Advances in Protein Chemistry

9 August 2017

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9 August 2017

66

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9 August 2017

249-313

1 reference

Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane and n‐Alkane Molecules

9 August 2017

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Refinement of protein conformations using a macromolecular energy minimization procedure

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Consistent Force Field Calculations. II. Crystal Structures, Sublimation Energies, Molecular and Lattice Vibrations, Molecular Conformations, and Enthalpies of Alkanes

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Calculations of electrostatic interactions in biological systems and in solutions

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Bicycle-pedal model for the first step in the vision process

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Dynamics of folded proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Molecular dynamics of native protein. II. Analysis and nature of motion

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Dynamics of biochemical and biophysical reactions: insight from computer simulations

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Ion channel selectivity using an electric stew

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Free Energy of Ionic Hydration

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Calculations of enzymatic reactions: calculations of pKa, proton transfer reactions, and general acid catalysis reactions in enzymes.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

High‐Temperature Equation of State by a Perturbation Method. I. Nonpolar Gases

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Electrostatic Energy and Macromolecular Function

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Calculations of antibody-antigen interactions: microscopic and semi-microscopic evaluation of the free energies of binding of phosphorylcholine analogs to McPC603

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Simulations of ion current in realistic models of ion channels: the KcsA potassium channel

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Macroscopic models for studies of electrostatic interactions in proteins: limitations and applicability

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Calculation of the electric potential in the active site cleft due to alpha-helix dipoles

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Electrostatic interactions in macromolecules: theory and applications

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

What about protein polarity?

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Electrostatic effects in macromolecules: fundamental concepts and practical modeling

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

How do serine proteases really work?

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

What are the dielectric "constants" of proteins and how to validate electrostatic models?

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Intrinsic pKas of ionizable residues in proteins: an explicit solvent calculation for lysozyme

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Electrostatic interactions in an integral membrane protein

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

The effect of protein relaxation on charge-charge interactions and dielectric constants of proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Generalized born models of macromolecular solvation effects

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Semianalytical treatment of solvation for molecular mechanics and dynamics

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Conformation and hydrogen ion titration of proteins: a continuum electrostatic model with conformational flexibility

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Free energy of charges in solvated proteins: microscopic calculations using a reversible charging process

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Large-scale ab initio quantum chemical calculations on biological systems.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Combinedab initioand Free Energy Calculations To Study Reactions in Enzymes and Solution: Amide Hydrolysis in Trypsin and Aqueous Solution

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Hybrid Models for Combined Quantum Mechanical and Molecular Mechanical Approaches

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Quantum mechanical calculations on biological systems

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

A QM/MM study of the racemization of vinylglycolate catalyzed by mandelate racemase enzyme

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Simulating enzyme reactions: challenges and perspectives

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Simulation of the enzyme reaction mechanism of malate dehydrogenase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Electrostatic stress in catalysis: Structure and mechanism of the enzyme orotidine monophosphate decarboxylase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Quantum Mechanical Dynamical Effects in an Enzyme-Catalyzed Proton Transfer Reaction

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Reply to Comment on Molecular Mechanics for Chemical Reactions

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Direct calculation of electron density in density-functional theory

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Self-consistently determined properties of solids without band-structure calculations

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Prediction of electronic excited states of adsorbates on metal surfaces from first principles

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Comment on "Prediction of electronic excited states of adsorbates on metal surfaces from first principles"

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Unified Approach for Molecular Dynamics and Density-Functional Theory

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

On the Quantum Nature of the Shared Proton in Hydrogen Bonds

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

A comparative study of galactose oxidase and active site analogs based on QM/MM Car-Parrinello simulations.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

The depth of chemical time and the power of enzymes as catalysts.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Transition-state stabilization in the mechanism of tyrosyl-tRNA synthetase revealed by protein engineering

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Electrostatic origin of the catalytic power of enzymes and the role of preorganized active sites

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Molecular Architecture and Biological Reactions

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Temperature effects on the catalytic efficiency, rate enhancement, and transition state affinity of cytidine deaminase, and the thermodynamic consequences for catalysis of removing a substrate "anchor"

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Ab initio study of the role of lysine 16 for the molecular switching mechanism of Ras protein p21.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

How does GAP catalyze the GTPase reaction of Ras? A computer simulation study

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Conformational flexibility of the catalytic Asp dyad in HIV-1 protease: An ab initio study on the free enzyme

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

A quantum mechanical study of the active site of aspartic proteinases.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Follow the protons: a low-barrier hydrogen bond unifies the mechanisms of the aspartic proteases

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Computer simulation studies of the fidelity of DNA polymerases

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Computer simulation of the chemical catalysis of DNA polymerases: discriminating between alternative nucleotide insertion mechanisms for T7 DNA polymerase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Catalytic Mechanism of Enzymes: Preorganization, Short Strong Hydrogen Bond, and Charge Buffering†

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Enzymatic GTP hydrolysis: insights from an ab initio molecular dynamics study

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

On the mechanism of guanosine triphosphate hydrolysis in ras p21 proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Electrostatic fields in the active sites of lysozymes

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Free energy perturbation calculations on binding and catalysis after mutating Asn 155 in subtilisin

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Evaluation of catalytic free energies in genetically modified proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Electrical potentials in trypsin isozymes

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Calculations of free energy profiles for the staphylococcal nuclease catalyzed reaction

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Computer simulation of the initial proton transfer step in human carbonic anhydrase I

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Computer simulation of the triosephosphate isomerase catalyzed reaction

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Computer simulation and analysis of the reaction pathway of triosephosphate isomerase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Catalytic mechanism of aldose reductase studied by the combined potentials of quantum mechanics and molecular mechanics

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Modelling the catalytic reaction in human aldose reductase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Energetics of nucleophile activation in a protein tyrosine phosphatase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Remarkable rate enhancement of orotidine 5'-monophosphate decarboxylase is due to transition-state stabilization rather than to ground-state destabilization.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Uracil-DNA glycosylase acts by substrate autocatalysis

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Energetics of enzyme catalysis

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

On the Theory of Oxidation‐Reduction Reactions Involving Electron Transfer. I

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Catalytic acceleration of reactions by enzymes. Effect of screening of a polar medium by a protein globule

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Elucidating the nature of enzyme catalysis utilizing a new twist on an old methodology: quantum mechanical-free energy calculations on chemical reactions in enzymes and in aqueous solution

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

So do we understand how enzymes work?

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

How important are entropic contributions to enzyme catalysis?

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Crystal structure of a lysozyme-tetrasaccharide lactone complex

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

A view at the millennium: the efficiency of enzymatic catalysis

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

How much do enzymes really gain by restraining their reacting fragments?

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Computational Studies of Enzyme-Catalyzed Reactions: Where Are We in Predicting Mechanisms and in Understanding the Nature of Enzyme Catalysis?

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Enzyme Dynamics: The Statistical Physics Approach

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Dynamics of proteins: elements and function

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Enzyme dynamics and hydrogen tunnelling in a thermophilic alcohol dehydrogenase.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Enzymatic H-transfer requires vibration-driven extreme tunneling

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Evidence for a functional role of the dynamics of glycine-121 of Escherichia coli dihydrofolate reductase obtained from kinetic analysis of a site-directed mutant

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Collective protein dynamics in relation to function

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Enzyme dynamics during catalysis

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Hydrogen tunneling in biology

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Enzyme catalysis: over-the-barrier or through-the-barrier?

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Dynamics of enzymatic reactions

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Computer simulation of primary kinetic isotope effects in the proposed rate-limiting step of the glyoxalase I catalyzed reaction

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Quantum Dynamics of Hydride Transfer in Enzyme Catalysis

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Hydride transfer in liver alcohol dehydrogenase: quantum dynamics, kinetic isotope effects, and role of enzyme motion

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Mechanisms of thiamine-catalyzed reactions. Decarboxylation of 2-(1-carboxy-l-hydroxyethyl)-3,4-dimethylthiazolium chloride

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

A proficient enzyme revisited: the predicted mechanism for orotidine monophosphate decarboxylase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Non-enzymatic and enzymatic hydrolysis of alkyl halides: a haloalkane dehalogenation enzyme evolved to stabilize the gas-phase transition state of an SN2 displacement reaction

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

The crystal structure and mechanism of orotidine 5'-monophosphate decarboxylase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Anatomy of a proficient enzyme: The structure of orotidine 5'-monophosphate decarboxylase in the presence and absence of a potential transition state analog

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Structural basis for the catalytic mechanism of a proficient enzyme: orotidine 5'-monophosphate decarboxylase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Computer simulations of enzyme catalysis: finding out what has been optimized by evolution.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

An alternative explanation for the catalytic proficiency of orotidine 5'-phosphate decarboxylase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Role of enzyme-ribofuranosyl contacts in the ground state and transition state for orotidine 5'-phosphate decarboxylase: a role for substrate destabilization?

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Catalytic proficiency: the unusual case of OMP decarboxylase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Low-barrier hydrogen bonds and enzymic catalysis

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

A low-barrier hydrogen bond in the catalytic triad of serine proteases

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

The low barrier hydrogen bond in enzymatic catalysis.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Atomic coordinates for subtilisin BPN′ (or Novo)

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Engineering subtilisin BPN' for site-specific proteolysis.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Short strong hydrogen bonds: can they explain enzymic catalysis?

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Energy considerations show that low-barrier hydrogen bonds do not offer a catalytic advantage over ordinary hydrogen bonds

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Characterization of Low-Barrier Hydrogen Bonds. 5. Microsolvation of Enol-Enolate. An ab Initio and DFT Investigation

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

NMR chemical shifts in the low-pH form of a-chymotrypsin. A QM/MM and ONIOM-NMR study

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

1 reference

7 January 2021

Characterization of the Short Strong Hydrogen Bond in Benzoylacetone by ab Initio Calculations and Accurate Diffraction Experiments. Implications for the Electronic Nature of Low-Barrier Hydrogen Bonds in Enzymatic Reactions

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

On low-barrier hydrogen bonds and enzyme catalysis.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Understanding enzymic catalysis: the importance of short, strong hydrogen bonds

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

A low-barrier hydrogen bond in the catalytic triad of serine proteases? Theory versus experiment

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

A new concept for the mechanism of action of chymotrypsin: the role of the low-barrier hydrogen bond

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

1 reference

7 January 2021

NMR evidence for a short, strong hydrogen bond at the active site of a cholinesterase.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

A novel engineered subtilisin BPN' lacking a low-barrier hydrogen bond in the catalytic triad

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

A source for the special catalytic power of enzymes: orbital steering

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Application of a Theory of Enzyme Specificity to Protein Synthesis

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

1 reference

7 January 2021

Current topics in RNA-protein recognition: control of specificity and biological function through induced fit and conformational capture

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

The cupric geometry of blue copper proteins is not strained.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Frozen Density Functional Free Energy Simulations of Redox Proteins: Computational Studies of the Reduction Potential of Plastocyanin and Rusticyanin

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

Apparent NAC effect in chorismate mutase reflects electrostatic transition state stabilization

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966007-9

7 January 2021

10.1016/S0065-3233(03)66007-9

Identifiers

DOI

1 reference

9 August 2017

1 reference

PubMed ID

14631821