Hepatitis C Virus NS5B Polymerase: QM/MM Calculations Show the Important Role of the Internal Energy in Ligand Binding-Reference-Cited by-同舟云学术

Hepatitis C Virus NS5B Polymerase: QM/MM Calculations Show the Important Role of the Internal Energy in Ligand Binding

Published:2008-02-14 Issue:10 Volume:112 Page:3168-3176
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Parks Jerry M.¹,Kondru Rama K.¹,Hu Hao¹,Beratan David N.¹,Yang Weitao¹

Affiliation:

1. Department of Chemistry, Duke University, 124 Science Drive, 5301 French Science Center, Durham, North Carolina 27708-0346, and Roche Palo Alto LLC, 3431 Hillview Avenue, Palo Alto, California 94304

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp076885j

Reference44 articles.

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

2. Ab Initio QM/MM Study Shows There Is No General Acid in the Reaction Catalyzed by 4-Oxalocrotonate Tautomerase

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