Reaction path determination for quantum mechanical/molecular mechanical modeling of enzyme reactions by combining first order and second order “chain-of-replicas” methods-Reference-Cited by-同舟云学术

Reaction path determination for quantum mechanical/molecular mechanical modeling of enzyme reactions by combining first order and second order “chain-of-replicas” methods

Published:2005-03-15 Issue:11 Volume:122 Page:114502
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Cisneros G. Andrés,Liu Haiyan,Lu Zhenyu,Yang Weitao

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1860560

Reference29 articles.

1. Energetics and Dynamics of Enzymatic Reactions

2. 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

3. Molecular Dynamics Simulations of Biological Reactions

4. Determination of enzymatic reaction pathways using QM/MM methods

5. QUANTUM MECHANICAL METHODS FOR ENZYME KINETICS

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