hSMD code, scripts, and coordinates for protein-protein affinity
收藏Mendeley Data2024-03-27 更新2024-06-26 收录
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资源简介：
This data has three parts: 1. C++ code for hSMD. 2. NAMD2.13 with hSMD binary on a linux workstation with cuda. 3. 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. NIHMSID: NIHMS719598 PubMed [journal]PMID: 26366131 PMCID: PMC4565455
创建时间：
2024-01-23
