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Updated: Jan 9, 2026

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
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通过精心调整的MM/PBSA(GBSA) 基方法,提高对蛋白循环复合体的结合 afinities 和 poses 的预测性能

Huifeng Zhao1,2, Jianxiang Huang1,3, Gaoqi Weng1

  • 1College of Pharmaceutical Sciences, Zhejiang University, Yuhangtang Road 866, Hangzhou, Zhejiang 310058, China.

Briefings in bioinformatics
|November 30, 2025
PubMed
概括

预测蛋白质循环相互作用是具有挑战性的. 这项研究精细调整了分子力学Poisson-Boltzmann表面积 (MM/PBSA) 和泛化Born表面积 (MM/GBSA) 方法,改善了结合亲和力预测.

关键词:
MM/PBSA(GBSA) 的使用情况.结合性亲和力是一种结合性亲和力.分子对接的分子对接.蛋白循环的相互作用.评分功能是一个得分函数.

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