Reaction Pathway and Free Energy Profile for Cocaine Hydrolase-Catalyzed Hydrolysis of (−)-Cocaine-Reference-Cited by-同舟云学术

Reaction Pathway and Free Energy Profile for Cocaine Hydrolase-Catalyzed Hydrolysis of (−)-Cocaine

Published:2012-03-06 Issue:4 Volume:8 Page:1426-1435
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Liu Junjun¹²,Zhan Chang-Guo²

Affiliation:

1. Tongji School of Pharmacy, Huazhong University of Science and Technology, 13 Hangkong Road, Wuhan, Hubei 430030, P. R. China

2. Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, Kentucky 40536, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200810d

Reference61 articles.

1. Management of Cocaine Abuse and Dependence

2. Three-Dimensional Quantitative Structure−Activity Relationship Modeling of Cocaine Binding by a Novel Human Monoclonal Antibody

3. Chemistry, Design, and Structure−Activity Relationship of Cocaine Antagonists

4. Human Butyrylcholinesterase–Cocaine Binding Pathway and Free Energy Profiles by Molecular Dynamics and Potential of Mean Force Simulations

5. Fluorescent Cocaine Probes: A Tool for the Selection and Engineering of Therapeutic Antibodies

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