Cocaine Esterase–Cocaine Binding Process and the Free Energy Profiles by Molecular Dynamics and Potential of Mean Force Simulations-Reference-Cited by-同舟云学术

Cocaine Esterase–Cocaine Binding Process and the Free Energy Profiles by Molecular Dynamics and Potential of Mean Force Simulations

Published:2012-03-02 Issue:10 Volume:116 Page:3361-3368
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Huang Xiaoqin¹,Zhao Xinyun¹,Zheng Fang¹,Zhan Chang-Guo¹

Affiliation:

1. 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

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

Link

https://pubs.acs.org/doi/pdf/10.1021/jp2111605

Reference44 articles.

1. Management of Cocaine Abuse and Dependence

2. Peripheral cocaine-blocking agents: new medications for cocaine dependence1The views and opinions expressed herein are those of the authors and do not necessarily reflect policies of the National Institute on Drug Abuse.1

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

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

5. Enhancing cocaine metabolism with butyrylcholinesterase as a treatment strategy

Cited by 10 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Exploring unbinding mechanism of drugs from SERT via molecular dynamics simulation and its implication in antidepressants;Chinese Physics B;2023-07-01

2. Probing the dynamics between the substrate and the product towards glucose tolerance of Halothermothrix orenii β-glucosidase;Journal of Biomolecular Structure and Dynamics;2020-07-28

3. Insight Into the Binding Mechanism of p53/pDIQ-MDMX/MDM2 With the Interaction Entropy Method;Frontiers in Chemistry;2019-01-29

4. Free energy profiles of cocaine esterase-cocaine binding process by molecular dynamics and potential of mean force simulations;Chemico-Biological Interactions;2016-11

5. Study on the Application of the Combination of TMD Simulation and Umbrella Sampling in PMF Calculation for Molecular Conformational Transitions;International Journal of Molecular Sciences;2016-05-09