A multiscale simulation approach to compute protein-ligand association rate constants by combining Brownian dynamics and molecular dynamics
收藏官方服务：
资源简介：
This dataset contains the input and output files for the results reported in manuscript "A multiscale simulation approach to compute protein-ligand association rate constants by combining Brownian dynamics and molecular dynamics" by Muñiz-Chicharro, Abraham; Ganotra, Gaurav K.; Wade, Rebecca C., submitted. The README describes the content.
提供机构：
Zenodo创建时间：
2025-06-24
