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Computer simulations of enzyme catalysis: methods, progress, and insights

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Europe PubMed Central

6 August 2017

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Europe PubMed Central

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Computer simulations of enzyme catalysis: methods, progress, and insights (English)

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Europe PubMed Central

6 August 2017

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Arieh Warshel

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Europe PubMed Central

6 August 2017

5 February 2003

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Europe PubMed Central

6 August 2017

Annual Review of Biophysics and Biomolecular Structure

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Europe PubMed Central

6 August 2017

32

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Europe PubMed Central

6 August 2017

425-443

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Europe PubMed Central

6 August 2017

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

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Simulating enzyme reactions: challenges and perspectives

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

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

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Computer simulation studies of the fidelity of DNA polymerases

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

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

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

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Direct calculation of electron density in density-functional theory

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The low barrier hydrogen bond in enzymatic catalysis.

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Unified Approach for Molecular Dynamics and Density-Functional Theory

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DOI

10.1146/ANNUREV.BIOPHYS.32.110601.141807

1 reference

stated in

Europe PubMed Central

6 August 2017

1 reference

Europe PubMed Central

PubMed ID

12574064

retrieved

6 August 2017

ResearchGate publication ID

10911816

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(Q35062620)

Computer simulations of enzyme catalysis: methods, progress, and insights

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