Replication Data for: Computing Protein-Protein Association Affinity with Hybrid Steered Molecular Dynamics.
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下载链接：
https://doi.org/10.7910/DVN/XD1A1H
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资源简介：
This data set has three parts: C++ code for hSMD. NAMD2.13 with hSMD binary on a linux workstation with cuda. All the parameters, coordinates, structures, and scripts to reproduce the results of this paper: Computing Protein-Protein Association Affinity with Hybrid Steered Molecular Dynamics. Rodriguez RA, Yu L, Chen LY. Journal of chemical theory and computation. 2015; 11(9):4427-4438.
创建时间：
2019-03-07
