Free energy calculation on enzyme reactions with an efficient iterative procedure to determine minimum energy paths on a combinedab initioQM/MM potential energy surface-Reference-Cited by-同舟云学术

Free energy calculation on enzyme reactions with an efficient iterative procedure to determine minimum energy paths on a combinedab initioQM/MM potential energy surface

Published:2000-02-22 Issue:8 Volume:112 Page:3483-3492
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Zhang Yingkai,Liu Haiyan,Yang Weitao

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.480503

Reference59 articles.

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

2. Computer Simulation of the Triosephosphate Isomerase Catalyzed Reaction

3. Origin of the Catalytic Power of Acetylcholinesterase: Computer Simulation Studies

4. Quantum mechanical calculations on biological systems

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

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