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兰州大学 [7]
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期刊论文 [6]
会议论文 [1]
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2014 [3]
2013 [1]
2012 [1]
2011 [2]
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computer s... [7]
chemistry [6]
biochemist... [2]
biophysics [2]
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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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浏览/下载:3/0
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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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浏览/下载:6/0
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提交时间:2014/12/05
Molecular dynamics simulation
Prion diseases
Disulfide bond
Misfolding
Analyses on Performance of GROMACS in Hybird MPI plus OpenMP plus CUDA Cluster
会议论文
16th IEEE International Conference on High Performance Computing and Communications HPCC 2014\11th IEEE International Conference on Embedded Software and Systems ICESS 2014\6th International Symposium on Cyberspace Safety and Security CSS 2014, Paris, FRANCE, AUG 20-22, 2014
作者:
Li, C
;
Chen, WB
;
Zhang, Y
;
Bai, QF
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浏览/下载:2/0
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提交时间:2017/01/18
CUDA
MPI
OpenMP
molecular dynamics simulation
GROMACS
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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浏览/下载:2/0
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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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浏览/下载:4/0
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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
-
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浏览/下载:5/0
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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
-
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浏览/下载:3/0
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提交时间:2014/12/05
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