遇见数据集

Protein Ligand Binding Assay

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NIAID Data Ecosystem2026-03-11 收录
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MD simulations of a protein ligand binding assay, provided by Acellera. These simulations are used in https://software.acellera.com/docs/latest/htmd/tutorials/ligand-binding-analysis.html Doerr, S.; Harvey, M. J.; Noé, F.; De Fabritiis, G. HTMD: High-Throughput Molecular Dynamics for Molecular Discovery. J. Chem. Theory Comput. 2016, 12, 1845–1852

创建时间:
2020-04-30
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