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CORC

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Molecular dynamics simulation of the structural, elastic, and thermal properties of pyrochlores 期刊论文
RSC ADVANCES, 2016, 卷号: 6, 期号: 47, 页码: 41410-41419
作者:  Dong, LY;  Li, YH;  Devanathan, R;  Gao, F
收藏  |  浏览/下载：2/0  |  提交时间：2017/01/13
Molecular Mechanism of the Inhibition and Remodeling of Human Islet Amyloid Polypeptide (hIAPP(1-37)) Oligomer by Resveratrol from Molecular Dynamics Simulation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 卷号: 119, 期号: 1, 页码: 15-24
作者:  Wang, QQ;  Ning, LL;  Niu, YZ;  Liu, HX;  Yao, XJ
收藏  |  浏览/下载：4/0  |  提交时间：2015/12/29
Cation exchange on interstratified illite/smectite minerals: Experimental study and molecular dynamics simulations 会议论文
248th National Meeting of the American-Chemical-Society (ACS), San Francisco, CA, AUG 10-14, 2014
作者:  Chen, ZY;  Loganathan, N;  Montavon, G;  Kalinichev, AG
收藏  |  浏览/下载：6/0  |  提交时间：2017/01/20
Combined molecular docking, molecular dynamics simulation and quantitative structure-activity relationship study of pyrimido[1,2-c] [1,3]benzothiazin-6-imine derivatives as potent anti-HIV drugs 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2014, 卷号: 1067, 页码: 1-13
作者:  Deng, FF;  Xie, MH;  Zhang, XY;  Li, PZ;  Tian, YL
收藏  |  浏览/下载：3/0  |  提交时间：2015/05/21
Computational Study on the Drug Resistance Mechanism against HCV NS3/4A Protease Inhibitors Vaniprevir and MK-5172 by the Combination Use of Molecular Dynamics Simulation, Residue Interaction Network, and Substrate Envelope Analysis 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2014, 卷号: 54, 期号: 2
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收藏  |  浏览/下载：3/0  |  提交时间：2014/12/05
The role of Cys179-Cys214 disulfide bond in the stability and folding of prion protein: insights from molecular dynamics simulations 期刊论文
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 2
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收藏  |  浏览/下载：6/0  |  提交时间：2014/12/05
Targeted molecular dynamics (TMD) of the full-length KcsA potassium channel: on the role of the cytoplasmic domain in the opening process 期刊论文
JOURNAL OF MOLECULAR MODELING, 2013, 卷号: 19, 期号: 4
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收藏  |  浏览/下载：2/0  |  提交时间：2014/12/05
Core-shell plasmonic nanostructures to fine-tune long "Au nanoparticle-fluorophore" distance and radiative dynamics 期刊论文
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2013, 卷号: 421, 页码: 101-108
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收藏  |  浏览/下载：5/0  |  提交时间：2014/12/05
Exploring the Molecular Mechanism of Cross-Resistance to HIV-1 Integrase Strand Transfer Inhibitors by Molecular Dynamics Simulation and Residue Interaction Network Analysis 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2013, 卷号: 53, 期号: 1
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收藏  |  浏览/下载：2/0  |  提交时间：2014/12/05
Understanding the molecular mechanism of the broad and potent neutralization of HIV-1 by antibody VRC01 from the perspective of molecular dynamics simulation and binding free energy calculations 期刊论文
JOURNAL OF MOLECULAR MODELING, 2012, 卷号: 18, 期号: 9
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收藏  |  浏览/下载：4/0  |  提交时间：2014/12/05

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