Selected trajectories
收藏DataCite Commons2020-08-25 更新2024-08-18 收录
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https://figshare.com/articles/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 <b>only</b> the protein complexed with is ligand.To use these files a <i>prmtop</i> and a <i>mdcrd</i> are requiered. <br>For example,<br>Paraquat.prmtop and Paraquat.mdcrd<br>
提供机构：
figshare
创建时间：
2020-02-25
