官方服务:
资源简介:
Molecular docking.
应用场景:
创建时间:
2022-05-20
相关数据集
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000400552187_N3
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000400552187_N3 Descriptor: 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine, Non-structural pro
Protein Data Bank Japan2024-05-22 更新90
Best docking scores among the different LeuRS domains.
Best docking scores among the different LeuRS domains.
NIAID Data Ecosystem40
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
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
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



