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Molecular docking energy values of SFRP4 with candidate compounds.

Figshare2025-09-08 更新2026-04-28 收录

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https://figshare.com/articles/dataset/Molecular_docking_energy_values_of_SFRP4_with_candidate_compounds_/30078384 数据链接链接失效反馈

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Molecular docking energy values of SFRP4 with candidate compounds.

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创建时间：

2025-09-08

抗病毒肽设计

分子对接

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

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

Docking of native peptide (CRIPT) to bound structures and the best clustered one obtained from PRS.

分子对接

肽段结构预测

aRMSD values between the top scoring pose in Ångstroms measured over all heavy atoms of the peptide and the peptide's position in the crystal structure.

NIAID Data Ecosystem10

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

Hydrogen Bonding Penalty upon Ligand Binding

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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

Molecular docking energy values of SFRP4 with candidate compounds.

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