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资源简介：
DiffLinker CASF Dataset
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创建时间：
2022-09-29
相关数据集
Dataset for publication
Molecular docking of flavonoids as potential inhibitors of protease and helicase domains of dengue and Zika viruses
DataCite Commons2025-04-01 更新130
Binding energies (kcal/mol) calculated with MMFF force field of drug-tabun-conjugated-AChE complexes.
Binding energies (kcal/mol) calculated with MMFF force field of drug-tabun-conjugated-AChE complexes.
NIAID Data Ecosystem60
Interface area and interaction energies.
interface area in . interaction energy in kcal/mol.
NIAID Data Ecosystem30
Results of covalent docking between beta lactam antibiotics and selected PBPs of Gram negative bacteria.
Results of covalent docking between beta lactam antibiotics and selected PBPs of Gram negative bacteria.
NIAID Data Ecosystem80
Molecular docking results of key active compounds in SFI with core targets.
Molecular docking results of key active compounds in SFI with core targets.
Figshare2025-01-17 更新30
