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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
Understanding the microscopic binding mechanism of hydroxylated and sulfated polybrominated diphenyl ethers with transthyretin by molecular docking, molecular dynamics simulations and binding free energy calculations 期刊论文
MOLECULAR BIOSYSTEMS, 2017, 卷号: 13, 期号: 4, 页码: 736-749
作者:  Cao, Huiming;  Sun, Yuzhen;  Wang, Ling;  Zhao, Chunyan;  Fua, Jianjie
收藏  |  浏览/下载:25/0  |  提交时间:2018/07/26
Binding Modes of Three Inhibitors 8CA, F8A and I4A to A-FABP Studied Based on Molecular Dynamics Simulation 期刊论文
PLOS ONE, 2014, 卷号: 9, 期号: 6
作者:  Chen, Jianzhong;  Wang, Jinan;  Zhu, Weiliang
收藏  |  浏览/下载:13/0  |  提交时间:2019/01/08
The Conserved Lys-95 Charged Residue Cluster Is Critical for the Homodimerization and Enzyme Activity of Human Ribonucleotide Reductase Small Subunit M2 期刊论文
JOURNAL OF BIOLOGICAL CHEMISTRY, 2014, 卷号: 289, 期号: 2, 页码: 909-920
作者:  Chen, Xinhuan;  Xu, Zhijian;  Zhang, Lingna;  Liu, Hongchuan;  Liu, Xia
收藏  |  浏览/下载:27/0  |  提交时间:2019/01/08
Binding sensitivity of adefovir to the polymerase from different genotypes of HBV: molecular modeling, docking and dynamics simulation studies 期刊论文
ACTA PHARMACOLOGICA SINICA, 2013, 卷号: 34, 期号: 2, 页码: 319-328
作者:  Li, Jing;  Du, Yun;  Liu, Xian;  Shen, Qian-cheng;  Huang, Ai-long
收藏  |  浏览/下载:25/0  |  提交时间:2019/01/08
The molecular basis of IGF-II/IGF2R recognition: a combined molecular dynamics simulation, free-energy calculation and computational alanine scanning study 期刊论文
JOURNAL OF MOLECULAR MODELING, 2012, 卷号: 18, 期号: 4, 页码: 1421-1430
作者:  Guo, JJ;  Wang, XT;  Sun, HJ;  Liu, HX;  Yao, XJ
收藏  |  浏览/下载:4/0  |  提交时间:2015/12/22
A computational analysis of interaction mechanisms of peptide and non-peptide inhibitors with MDMX based on molecular dynamics simulation 期刊论文
computational and theoretical chemistry, 2012, 卷号: 984, 页码: 43-50
作者:  Cheng, Wei-yuan;  Chen, Jian-zhong;  Liang, Zhi-qiang;  Li, Guo-hui;  Yi, Chang-hong
收藏  |  浏览/下载:12/0  |  提交时间:2013/10/11
Computational Studies of Difference in Binding Modes of Peptide and Non-Peptide Inhibitors to MDM2/MDMX Based on Molecular Dynamics Simulations 期刊论文
international journal of molecular sciences, 2012, 卷号: 13, 期号: 2, 页码: 2176-2195
作者:  Chen, Jianzhong;  Zhang, Dinglin;  Zhang, Yuxin;  Li, Guohui
收藏  |  浏览/下载:18/0  |  提交时间:2015/11/13
APIS: accurate prediction of hot spots in protein interfaces by combining protrusion index with solvent accessibility 期刊论文
BMC Bioinformatics, 2010, 卷号: 11, 期号: 1, 页码: 1-14
作者:  Xia,Jun-Feng;  Zhao,Xing-Ming;  Song,Jiangning;  Huang,De-Shuang
收藏  |  浏览/下载:7/0  |  提交时间:2019/02/27
Relaxing the coenzyme specificity of 1,3-propanediol oxidoreductase from Klebsiella pneumoniae by rational design 期刊论文
JOURNAL OF BIOTECHNOLOGY, 2010, 卷号: 146, 页码: 173-178
作者:  Ma, Chengwei;  Zhang, Le;  Dai, Jianying;  Xiu, Zhilong
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/24


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