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Computational Biology and Chemistry

整合分子对接、动力学和系统药理学分析

Integrated Molecular Docking, Dynamics, and Systems Pharmacology Analysis

A computational workflow combining molecular docking, molecular dynamics simulations, and systems pharmacology to evaluate multi-target drug candidates. / 一种结合分子对接、分子动力学模拟和系统药理学来评估多靶点药物候选人的计算工作流程。

Knowledge type
工艺技术
First proposed or discovered
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Turkey Farm member
Creator
农场主
Last updated
2026-10-30 23:06:14
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Sub-knowledge points

Molecular docking / 工艺技术Molecular DynamicsSystems Pharmacology

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Main parameters and performance indicators

method: Integrated Molecular Docking, Dynamics, and Systems Pharmacology Analysistarget: Class I histone deacetylase (HDAC)compound: Schaftoside

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Schaftoside from galgeuntang as a multi-target class I histone deacetylase inhibitor: Integrated molecular docking, dynamics, and systems pharmacology analysisOpen source

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automated knowledge publish农场主2026-10-30 23:06:14

Record title: Integrated Molecular Docking, Dynamics, and Systems Pharmacology Analysis.