Multicoordinate Driven Method for Approximating Enzymatic Reaction Paths: Automatic Definition of the Reaction Coordinate Using a Subset of Chemical Coordinates-Reference-Cited by-同舟云学术

Multicoordinate Driven Method for Approximating Enzymatic Reaction Paths: Automatic Definition of the Reaction Coordinate Using a Subset of Chemical Coordinates

Published:2005-11-23 Issue:2 Volume:110 Page:772-778
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Berente Imre¹,Náray-Szabó Gábor¹

Affiliation:

1. Department of Theoretical Chemistry, Eötvös Loránd University, and Protein Modeling Group, Hungarian Academy of Sciences - Eötvös Loránd University, H-1117 Budapest, Pázmány Péter st. 1A, Hungary

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp054116z

Reference37 articles.

1. The synchronous-transit method for determining reaction pathways and locating molecular transition states

2. An improved method for the evaluation of transition states

3. Use and abuse of the distinguished-coordinate method for transition-state structure searching

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