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Updated: Feb 17, 2026

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
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機械学習のアプローチによる水素結合の強さの推定

Nahera Samangani1, Stefan Zahn1

  • 1Leibniz Institute of Surface Engineering (IOM), Permoserstraße 15, Leipzig 04318, Germany.

ACS omega
|February 16, 2026
PubMed
まとめ

機械学習モデルは,分子記述子を使用して,水素結合エネルギーを正確に予測します. グラデーションブーストによるサポートベクトル回帰では,3%の誤差が達成され,計算化学アプリケーションの以前の方法の改善となった.

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