Dataset of compounds as potential inhibitors for ROS1 kinase
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This repository contains structural data from the paper: "The performance of ensemble-based free energy protocols in computing binding affinities to ROS1 kinase" Shunzhou Wan,...
本仓库包含来自下述论文的结构数据：《系综自由能协议（ensemble-based free energy protocols）用于ROS1激酶（ROS1 kinase）结合亲和力（binding affinities）计算的性能评估》，作者为Shunzhou Wan等……
