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Updated: Feb 17, 2026

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現代の古典的なタンパク質力場を用いた真空シミュレーションの再考

Vi Toan Lam1, Duy Phuoc Tran1

  • 1School of Life Sciences and Technology, Institute of Science Tokyo (formerly, Tokyo Institute of Technology), 2-12-1 Ookayama, Meguro-Ku, Tokyo 152-8550, Japan.

ACS omega
|February 16, 2026
PubMed
まとめ

現代の生物分子力場は,真空シミュレーションで不明確な性能を示しています. CMAPや二面角度ではなく,残基間の相互作用が真空中のペプチドサンプリングに大きく影響し,将来の力場開発に役立ちます.

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