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浏览/检索结果: 共7条，第1-7条 帮助 限定条件 学科主题：chemistry    学科主题：computer science     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 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 - 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 - 收藏  |  浏览/下载：6/0  |  提交时间：2014/12/05 Molecular dynamics simulation  Prion diseases  Disulfide bond  Misfolding   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 - 收藏  |  浏览/下载：2/0  |  提交时间：2014/12/05 Cytoplasmic domain  Full-length KcsA  pH sensor  Targeted molecular dynamics (TMD)   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 - 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 - 收藏  |  浏览/下载：4/0  |  提交时间：2014/12/05 gp120  VRC01  HIV-1  Molecular dynamics simulation  MM-PBSA  MM-GBSA   Molecular Dynamics Simulation and Free Energy Calculation Studies of the Binding Mechanism of Allosteric Inhibitors with p38 alpha MAP Kinase 期刊论文 JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2011, 卷号: 51, 期号: 12 - 收藏  |  浏览/下载：5/0  |  提交时间：2014/12/05 Molecular Dynamics Simulation, Free Energy Calcuiation and Structure-Based 3D-QSAR Studies of B-RAF Kinase Inhibitors 期刊论文 JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2011, 卷号: 51, 期号: 3 - 收藏  |  浏览/下载：3/0  |  提交时间：2014/12/05