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Updated: Jul 17, 2025

Bioinformatics Resources for the Study of Glycan-Mediated Protein Interactions
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基于分子动力学模拟的预测,对与药物分子的糖氨基酸相互作用进行预测

Martyna Maszota-Zieleniak1, Sergey A Samsonov2

  • 1Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland.

Methods in molecular biology (Clifton, N.J.)
|September 7, 2023
PubMed
概括

本研究介绍了分子动力学协议,以分析糖氨基甘油 (GAG) 和小分子相互作用. 这些方法有助于理解GAG药物复合体的形成及其生物效应.

关键词:
药物分子 药物分子免费能源的计算方法葡萄糖氨基甘油可以.在MM-GBSA中使用.分子对接是分子对接.分子动力学分子动力学寡头群体堆叠在一起.硫化模式的硫化模式

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