Result of Molecular Docking

NIAID Data Ecosystem2026-03-11 收录

分子对接

计算机辅助药物设计

数据链接：

https://figshare.com/articles/dataset/Result_of_Molecular_Docking/8259179 数据链接链接失效反馈

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资源简介：

The data upload in this repository is the data get from the in silico experiment

创建时间：

2019-06-12

Exploring the binding capacity of lactic acid bacteria derived bacteriocins against RBD of SARS-CoV-2 Omicron variant by molecular simulations

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

Docking scores and energy minimization of target proteins.

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

Deciphering the in silico molecular mechanism of coumestrol activity for uterine fibroids remedy: a promising estrogenic target drug candidate

分子对接

妇科疾病靶向治疗

Uterine fibroids (UF) are reproductive conditions that occur as tumours in the womb. It is a gynecological outgrowth of diverse sizes often allied with infertility risks that might require surgery to

Figshare2025-05-12 更新20

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

The docking parameters and scores of hub targets with their optimal ligands.

分子对接

药物靶点筛选

The docking parameters and scores of hub targets with their optimal ligands.

Figshare2025-10-03 更新20