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资源简介：
QM9, LBA, MSP datasets preprocessed by EPT.
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创建时间：
2025-12-11
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The input files used for MD simulation of the protein-ligand complexes.
The input files used for MD simulation of the protein-ligand complexes.
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Physicochemical properties of Ph-triazole predicted using SwissADME database.
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PDB: 6SF6, Crystal structure of mAb 15A in complex with COMP-epitope P6 (313K, 40°C, 100 ns): random seed #2
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