Selected trajectories
收藏Figshare2020-02-25 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Selected_trajectories/11896851
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资源简介：
Trajectories for the est results obtained from docking pesticides cataloged by the WHO on the beta-lactoglobulin from Bos taurus.Simulations carried out using FF14SB with TIP4P water. The trajectories shared here contain only the protein complexed with is ligand.To use these files a prmtop and a mdcrd are requiered. For example,Paraquat.prmtop and Paraquat.mdcrd
创建时间：
2020-02-25
