Collective Reaction Coordinate for Hybrid Quantum and Molecular Mechanics Simulations: A Case Study of the Hydride Transfer in Dihydrofolate Reductase-Reference-Cited by-同舟云学术

Collective Reaction Coordinate for Hybrid Quantum and Molecular Mechanics Simulations: A Case Study of the Hydride Transfer in Dihydrofolate Reductase

Published:2012-06-25 Issue:7 Volume:8 Page:2484-2496
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Doron Dvir¹,Kohen Amnon²,Major Dan Thomas¹

Affiliation:

1. Department of Chemistry and the Lise Meitner-Minerva Center of Computational Quantum Chemistry, Bar-Ilan University, Ramat-Gan 52900, Israel

2. Department of Chemistry, University of Iowa, Iowa City, Iowa 52242, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300235k

Reference110 articles.

1. The Application of the Theory of Absolute Reacton Rates to Proteins.

2. Current status of transition-state theory

3. The Absolute Rate of Reactions in Condensed Phases

4. A Perspective on Enzyme Catalysis

5. How Enzymes Work: Analysis by Modern Rate Theory and Computer Simulations

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