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Binding energy and binding site analysis of best complexes.

NIAID Data Ecosystem2026-05-02 收录

分子对接

结合位点分析

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https://figshare.com/articles/dataset/Binding_energy_and_binding_site_analysis_of_best_complexes_/28272416 数据链接链接失效反馈

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Binding energy and binding site analysis of best complexes.

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创建时间：

2025-01-24

抗病毒肽设计

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The changes in the SARS-CoV-2 genome have resulted in the emergence of new variants. Some of the variants have been classified as variants of concern (VOC). These strains have higher transmission rate

Taylor & Francis Group2023-11-09 更新60

PDBbind v.2013 core set prepared

分子对接

函数优化

PDBbind v.2013 core set manually curated to optimize the hydrogen bond network considering protein and ligand protonation states. The description of this dataset preparation is published in the follow

NIAID Data Ecosystem30

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

Best docking scores among the different LeuRS domains.

蛋白质结构域对接

分子对接

Best docking scores among the different LeuRS domains.

NIAID Data Ecosystem40

Docking scores and energy minimization of target proteins.

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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

Binding energy and binding site analysis of best complexes.

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