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CORC

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Increasing the Sampling Efficiency of Protein Conformational Change by Combining a Modified Replica Exchange Molecular Dynamics and Normal Mode Analysis 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 卷号: 17, 期号: 1, 页码: 13-28
作者:  Peng, Cheng;  Wang, Jinan;  Shi, Yulong;  Xu, Zhijian;  Zhu, Weiliang
收藏  |  浏览/下载：18/0  |  提交时间：2021/05/24
Predicting HIV-1 Protease Cleavage Sites With Positive-Unlabeled Learning 期刊论文
FRONTIERS IN GENETICS, 2021, 卷号: 12, 期号: 3, 页码: 1-11
作者:  Li, ZF (Li, Zhenfeng)[ 1 ];  Hu, L (Hu, Lun)[ 2 ];  Tang, ZH (Tang, Zehai)[ 1 ];  Zhao, C (Zhao, Cheng)[ 1 ]
收藏  |  浏览/下载：30/0  |  提交时间：2021/05/06
Incorporating the Coevolving Information of Substrates in Predicting HIV-1 Protease Cleavage Sites 期刊论文
IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS, 2020, 卷号: 17, 期号: 6, 页码: 2017-2028
作者:  Hu, Lun;  Hu, Pengwei;  Luo, Xin;  Yuan, Xiaohui;  You, Zhu-Hong
收藏  |  浏览/下载：21/0  |  提交时间：2021/03/01
Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2020, 页码: 8
作者:  Peng, Cheng;  Wang, Jinan;  Xu, Zhijian;  Cai, Tingting;  Zhu, Weiliang
收藏  |  浏览/下载：24/0  |  提交时间：2020/07/01
Binding interface and impact on protease cleavage for an RNA aptamer to HIV-1 reverse transcriptase 期刊论文
NUCLEIC ACIDS RESEARCH, 2020, 卷号: 48, 期号: 5, 页码: 2709-2722
作者:  Nguyen, Phuong D. M.;  Zheng, Jie;  Gremminger, Thomas J.;  Qiu, Liming;  Zhang, Dong
收藏  |  浏览/下载：20/0  |  提交时间：2020/07/01
Molecular Mechanism of Binding Selectivity of Inhibitors toward BACE1 and BACE2 Revealed by Multiple Short Molecular Dynamics Simulations and Free-Energy Predictions 期刊论文
ACS CHEMICAL NEUROSCIENCE, 2019, 卷号: 10, 期号: 10, 页码: 4303-4318
作者:  Chen, Jianzhong;  Wang, Jinan;  Yin, Baohua;  Pang, Laixue;  Wang, Wei
收藏  |  浏览/下载：114/0  |  提交时间：2020/07/01
D3Pockets: A Method and Web Server for Systematic Analysis of Protein Pocket Dynamics 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 卷号: 59, 期号: 8, 页码: 3353-3358
作者:  Chen, Zhaoqiang;  Zhang, Xinben;  Peng, Cheng;  Wang, Jinan;  Xu, Zhijian
收藏  |  浏览/下载：13/0  |  提交时间：2020/07/01
Synthesis and biological evaluation of new HIV-1 protease inhibitors with purine bases as P2-ligands 期刊论文
2019, 卷号: 29, 期号: 12, 页码: 1541-1545
作者:  Zhu, Mei;  Dong, Biao;  Zhang, Guo-Ning;  Wang, Ju-Xian;  Cen, Shan
收藏  |  浏览/下载：6/0  |  提交时间：2020/01/03
Design, synthesis and biological evaluation of novel HIV-1 protease inhibitors with pentacyclic triterpenoids as P2-ligands 期刊论文
2019, 卷号: 29, 期号: 3, 页码: 357-361
作者:  Zhu, Mei;  Du, Xiao-Nan;  Li, Yun-Ge;  Zhang, Guo-Ning;  Wang, Ju-Xian
收藏  |  浏览/下载：3/0  |  提交时间：2020/01/03
Exploring molecular mechanism of allosteric inhibitor to relieve drug resistance of multiple mutations in HIV-1 protease by enhanced conformational sampling 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2018, 卷号: 86, 期号: 12, 页码: 1294-1305
作者:  Chen, Jianzhong;  Peng, Cheng;  Wang, Jinan;  Zhu, Weiliang
收藏  |  浏览/下载：59/0  |  提交时间：2019/01/08

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