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Data for: Probing biological activity through structural modelling of ligand-receptor interactions of 2,4-disubstituted thiazole retinoids

Mendeley Data2018-02-10 更新2026-04-09 收录

分子对接

结构活性关系

数据链接：

https://data.mendeley.com/datasets/4h9nkg9vtk/1 数据链接链接失效反馈

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资源简介：

Electronic Supplementary information

应用场景：

创建时间：

2018-02-10

分子对接

蛋白质-配体相互作用

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

Performance of different protein-ligand complex based approaches on the PDBBind datasets.

分子对接

结合亲和力

Performance of different protein-ligand complex based approaches on the PDBBind datasets.

Figshare2018-01-19 更新10

Hydrogen Bonding Penalty upon Ligand Binding

分子对接

药物结合自由能计算

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

PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1545196403

蛋白质晶体学

分子对接

PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1545196403 Descriptor: 2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline, PH-interacting protein Authors: Grosjean, H, Aimon, A

Protein Data Bank Japan2026-02-18 更新30

Comparison of binding properties of vinblastine obtained from molecular docking using Autodock and experiments.

分子对接

抗癌药物结合特性

Comparison of binding properties of vinblastine obtained from molecular docking using Autodock and experiments.

Figshare2013-10-04 更新10