Effect of allosteric molecules on structure and drug affinity of HIV-1 protease by molecular dynamics simulations-Reference-Cited by-同舟云学术

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Effect of allosteric molecules on structure and drug affinity of HIV-1 protease by molecular dynamics simulations

Published:2016-11 Issue: Volume:70 Page:153-162
ISSN:1093-3263
Container-title:Journal of Molecular Graphics and Modelling
language:en
Short-container-title:Journal of Molecular Graphics and Modelling

Author:

Meng Xian-Mei,Hu Wei-Jun,Mu Yu-Guang,Sheng Xie-Huang

Funder

National Natural Science Foundation of China

Key Technologies R&D Program of Shandong Province

Nanyang Technological University Tier 1

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference69 articles.

1. Structural biology of HIV;Turner;J. Mol. Biol.,1999

2. Solution structure of HIV-1 protease flaps probed by comparison of molecular dynamics simulation ensembles and EPR experiments;Ding;J. Am. Chem. Soc.,2008

3. Dynamics of flap structures in three HIV-1 protease/inhibitor complexes probed by total chemical synthesis and pulse-EPR spectroscopy;Torbeev;J. Am. Chem. Soc.,2009

4. HIV-1 protease substrate binding and product release pathways explored with coarse-grained molecular dynamics;Trylska;Biophys. J.,2007

5. Coarse-grained molecular dynamics of ligands binding into protein: the case of HIV-1 protease inhibitors;Li;J. Chem. Phys.,2009

Cited by 2 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. Characterizing early drug resistance-related events using geometric ensembles from HIV protease dynamics;Scientific Reports;2018-12

2. Exploring molecular mechanism of allosteric inhibitor to relieve drug resistance of multiple mutations in HIV‐1 protease by enhanced conformational sampling;Proteins: Structure, Function, and Bioinformatics;2018-10-30

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