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CORC

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Combined Ligand/Structure-Based Virtual Screening and Molecular Dynamics Simulations of Steroidal Androgen Receptor Antagonists 期刊论文
BIOMED RESEARCH INTERNATIONAL, 2017
作者:  Wang, YW;  Han, R;  Zhang, HM;  Liu, HL;  Li, JZ
收藏  |  浏览/下载：9/0  |  提交时间：2017/05/09
Exploring the binding mechanism of Heteroaryldihydropyrimidines and Hepatitis B Virus capsid combined 3D-QSAR and molecular dynamics 期刊论文
ANTIVIRAL RESEARCH, 2017, 卷号: 137, 页码: 151-164
作者:  Tu, J;  Li, JJ;  Shan, ZJ;  Zhai, HL
收藏  |  浏览/下载：48/0  |  提交时间：2017/05/08
Molecular mechanism of R-bicalutamide switching from androgen receptor antagonist to agonist induced by amino acid mutations using molecular dynamics simulations and free energy calculation 期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2016, 卷号: 30, 期号: 1-12, 页码: 1189-1200
作者:  Liu, HL;  Han, R;  Li, JZ;  Liu, HX;  Zheng, LF
收藏  |  浏览/下载：3/0  |  提交时间：2017/05/09
The solvent at antigen-binding site regulated C3d-CR2 interactions through the C-terminal tail of C3d at different ion strengths: insights from molecular dynamics simulation 期刊论文
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2016, 卷号: 1860, 期号: 10, 页码: 2220-2231
作者:  Zhang, Y;  Guo, JJ;  Li, LL;  Liu, XW;  Yao, XJ
收藏  |  浏览/下载：2/0  |  提交时间：2017/01/11
Molecular Dynamics Simulations of the Permeation of Bisphenol A and Pore Formation in a Lipid Membrane 期刊论文
SCIENTIFIC REPORTS, 2016, 卷号: 6
作者:  Chen, L;  Chen, JL;  Zhou, GQ;  Wang, Y;  Xu, C
收藏  |  浏览/下载：1/0  |  提交时间：2017/01/13
Computational study on the binding and unbinding mechanism of HCV NS5B with the inhibitor GS-461203 and substrate using conventional and steered molecular dynamics simulations 期刊论文
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2016, 卷号: 156, 页码: 72-80
作者:  Pan, DB;  Niu, YZ;  Ning, LL;  Zhang, Y;  Liu, HX
收藏  |  浏览/下载：5/0  |  提交时间：2017/01/12
Insights into mechanism of pyrido[2,3-d]pyrimidines as DYRK1A inhibitors based on molecular dynamic simulations 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2016, 卷号: 84, 期号: 8, 页码: 1108-1123
作者:  Li, JJ;  Tian, YL;  Zhai, HL;  Lv, M;  Zhang, XY
收藏  |  浏览/下载：3/0  |  提交时间：2017/01/12
Polymeric ionic liquid modified graphene oxide-grafted silica for solid-phase extraction to analyze the excretion-dynamics of flavonoids in urine by Box-Behnken statistical design 期刊论文
JOURNAL OF CHROMATOGRAPHY A, 2016, 卷号: 1456, 页码: 10-18
作者:  Hou, XD;  Liu, SJ;  Zhou, PP;  Li, J;  Liu, X
收藏  |  浏览/下载：3/0  |  提交时间：2017/01/12
Insights into conformational regulation of PfMATE transporter from Pyrococcus furiosus induced by alternating protonation state of Asp41 residue: A molecular dynamics simulation study 期刊论文
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2016, 卷号: 1860, 期号: 6, 页码: 1173-1180
作者:  Jin, XJ;  Shao, YH;  Bai, QF;  Xue, WW;  Liu, HX
收藏  |  浏览/下载：4/0  |  提交时间：2017/01/12
Exploring the Inhibitory Mechanism of Approved Selective Norepinephrine Reuptake Inhibitors and Reboxetine Enantiomers by Molecular Dynamics Study 期刊论文
SCIENTIFIC REPORTS, 2016, 卷号: 6
作者:  Zheng, GX;  Xue, WW;  Wang, PP;  Yang, FY;  Li, B
收藏  |  浏览/下载：1/0  |  提交时间：2017/01/12

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