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Updated: Jul 10, 2025

Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins
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Published on: July 8, 2025

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评估基于遗传算法的对接协议,用于预测氨酸寡糖化合物对蛋白质的结合几何

Samuel G Holmes1,2, Umesh R Desai1,2

  • 1Department of Medicinal Chemistry, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.

Biomolecules
|November 25, 2023
PubMed
概括

我们开发了一种半刚性对接协议,用于糖氨基糖 (GAG) 和蛋白质相互作用. 这种方法可以准确地预测GAG蛋白结合的姿势,特别是在更长的链上,从而改善了药物发现工作.

关键词:
葡萄糖氨基酸糖甘油 葡萄糖甘油肝素 / 肝素硫酸盐 肝素 / 肝素硫酸盐基于知识的对接.分子对接的分子对接.

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