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Insight into binding mechanisms of inhibitors MKP56, MKP73, MKP86, and MKP97 to HIV-1 protease by using molecular dynamics simulationSCI被引量:SCI原文链接 期刊论文
2018, 卷号: 36, 期号: 4, 页码: 981-992
作者:  Shi, Shuhua[1];  Zhang, Shaolong[2];  Zhang, Qinggang[2]
收藏  |  浏览/下载:7/0  |  提交时间:2019/12/28
Effect of polarization on HIV-1protease and fluoro-substituted inhibitors binding energies by large scale molecular dynamics simulationsSCI被引量:SCI原文链接 期刊论文
2017, 卷号: 7
作者:  Duan, Li L.[1];  Zhu, T.[2,3];  Li, Yu C.[1];  Zhang, Qing G.[1];  Zhang, John Z. H.[2,3]
收藏  |  浏览/下载:5/0  |  提交时间:2019/12/28
Molecular dynamics simulation and free energy calculations of symmetric fluoro-substituted diol-based HIV-1 protease inhibitors 期刊论文
2009, 卷号: 899, 期号: 1-3, 页码: 1-8
作者:  Chen, Jian-Zhong[1];  Yang, Mao-You[1];  Yi, Chang-Hong[1];  Shi, Shu-Hua[1];  Zhang, Qing-Gang[1]
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/28
Molecular insight into the interaction mechanisms of inhibitors BEC and BEG with HIV-1 protease by using MM-PBSA method and molecular dynamics simulation 期刊论文
2009, 卷号: 913, 期号: 1-3, 页码: 22-27
作者:  Shi, Shu-Hua[1];  Chen, Jian-Zhong[1];  Hu, Guo-Dong[1];  Yi, Chang-Hong[1];  Zhang, Shao-Long[1]
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/28


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