CGFlow supplementary data

Figshare2025-01-31 更新2026-04-28 收录

分子对接姿态预测

蛋白质-配体相互作用

数据链接：

https://figshare.com/articles/dataset/CGFlow_supplementary_data/28321559 数据链接链接失效反馈

官方服务：

资源简介：

Contains preprocessed CrossDock dataset for training pose prediction and the pretrained pose prediction model.

创建时间：

2025-01-31

Beta-1,2-Mannobiose phosphorylase from Listeria innocua - glycerol complex

晶体结构解析

蛋白质-配体相互作用

Beta-1,2-Mannobiose phosphorylase from Listeria innocua - glycerol complex Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Lin0857 protein, ... Authors: Tsuda, T, Arakawa, T, Fushinobu, S.

Protein Data Bank Japan2023-11-08 更新30

BRD4 in complex with FragLite2

蛋白质-配体相互作用

药物靶点发现

BRD4 in complex with FragLite2 Descriptor: 4-IODOPYRAZOLE, GLYCEROL, Isoform C of Bromodomain-containing protein 4 Authors: Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. Deposit date: 2022-03-21

Protein Data Bank Japan2024-02-07 更新10

PDB: 6SF6, Crystal structure of mAb 15A in complex with COMP-epitope P6 (313K, 40°C, 100 ns): random seed #2

蛋白质-配体相互作用

分子动力学模拟

Crystal structure of mAb 15A in complex with COMP-epitope P6 (313K, 40°C, 100 ns): random seed #2. Contains PDBs every 50 ns. Includes free binding energy calculations.

Harvard Dataverse2025-12-17 更新00

Endopolygalacturonase I from Stereum purpureum complexed with a galacturonate at 1.00 A resolution.

晶体结构解析

蛋白质-配体相互作用

Endopolygalacturonase I from Stereum purpureum complexed with a galacturonate at 1.00 A resolution. Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ENDOPOLYGALACTURONASE, ... Autho

Protein Data Bank Japan2024-11-20 更新30

The input files used for MD simulation of the protein-ligand complexes.

分子动力学模拟

蛋白质-配体相互作用

The input files used for MD simulation of the protein-ligand complexes.

NIAID Data Ecosystem00