相关数据集
BindingDB Entry 50018784: Single-digit nanomolar inhibitors lock the aromatase active site via a dualsteric targeting strategy.
Small molecule binding data for protein Aromatase, Uniprot P11511
DataCite Commons2024-04-26 更新60
The docking parameters and scores of hub targets with their optimal ligands.
The docking parameters and scores of hub targets with their optimal ligands.
Figshare2025-10-03 更新20
Hydrogen Bonding Penalty upon Ligand Binding
Ligand binding involves breakage of hydrogen bonds with water molecules and formation of new hydrogen bonds between protein and ligand. In this work, the change of hydrogen bonding energy in the bindi
Figshare2016-01-18 更新10
Docking scores and energy minimization of target proteins.
Molecular docking using models of receptor (protein) and ligand (Testosterone) was carried out using Schrodinger Glide Maestro, USA software. GPCR 205 displayed highest docking score of -8.3Kcal/mol.
Figshare2020-09-03 更新30
Comparison of binding properties of vinblastine obtained from molecular docking using Autodock and experiments.
Comparison of binding properties of vinblastine obtained from molecular docking using Autodock and experiments.
Figshare2013-10-04 更新10
