HIV-1蛋白酶与抑制剂结合中桥接水分子作用的QM/MM研究

J4 ›› 2010, Vol. 23 ›› Issue (1): 1-5.

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Hybrid QM/MM Study on Interfacial Water Molecular Effects in the Binding of HIV-1 Protease and Inhibitors

Zhang-Yu-Xin, ZHANG Shao-Long, ZHANG Qiang-Gang

College of Physics and Electronics, Shandong Normal University.

Received:2009-11-17 Online:2010-02-20 Published:2010-02-20

Abstract

CLC Number:

O641.12

Zhang-Yu-Xin, ZHANG Shao-Long, ZHANG Qiang-Gang. Hybrid QM/MM Study on Interfacial Water Molecular Effects in the Binding of HIV-1 Protease and Inhibitors[J].J4, 2010, 23(1): 1-5.

[1]	WANG Jia-Lei, MENG Xian-Mei, ZHANG Qiang-Gang, ZHANG Yi-Ci, ZHANG Shao-Long. Long-time molecular dynamics simulation of allosteric inhibitor system of HIV-1 protease [J]. J4, 2013, 26(2): 1-6.
[2]	SUN De-Fu, WANG Jia-Lei, ZHANG Shao-Long, ZHANG Qiang-Gang, ZHANG Yi-Ci. Molecular dynamics analysis of allosteric inhibitor system of HIV-1 protease [J]. J4, 2012, 25(2): 20-25.
[3]	LI Long-Fei, SUN De-Fu, ZHANG Shao-Long, ZHANG Qing-Gang. Function mechanism of two estrogen receptors and an inhibitor [J]. J4, 2011, 24(2): 8-13.

Hybrid QM/MM Study on Interfacial Water Molecular Effects in the Binding of HIV-1 Protease and Inhibitors

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