Identification of the Transition States in the Inversion of 1,4-Benzodiazepines with the Ab Initio Replica Path Method-Reference-Cited by-同舟云学术

Identification of the Transition States in the Inversion of 1,4-Benzodiazepines with the Ab Initio Replica Path Method

Published:2008-01-30 Issue:7 Volume:112 Page:1604-1611
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Lee Yong-Sok¹,Pike Victor W.¹,Hodoscek Milan¹

Affiliation:

1. Center for Molecular Modeling, Division of Computational Bioscience, Center for Information Technology, National Institutes of Health, Building 12A, Room 2049, Bethesda, Maryland 20892, Molecular Imaging Branch, National Institute of Mental Health, National Institutes of Health, Building 10, Room B3C 346A, 10 Center Drive, Bethesda, Maryland 20892, National Heart, Lung and Blood Institute, National Institutes of Health, DHHS, Bethesda, Maryland 20892, National Institute of Chemistry, Ljubljana, Slovenia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp077738o

Reference39 articles.

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4. Exploring the quantum mechanical/molecular mechanical replica path method: a pathway optimization of the chorismate to prephenate Claisen rearrangement catalyzed by chorismate mutase

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