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Updated: Feb 14, 2026

Analyzing Mitochondrial Morphology Through Simulation Supervised Learning
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機械学習とコンピュータ・シミュレーションにより,Hsp90によるフージー・インヒビター・バインディングを解き放つ.

Mohammad Sahil1, Jaya Krishna Koneru1, Jagannath Mondal1

  • 1Tata Institute of Fundamental Research Hyderabad, 36/P Gopanapalli Village, Hyderabad TS-500046, India.

Journal of chemical theory and computation
|February 13, 2026
PubMed
まとめ

ゲルダナミシンが熱ショックタンパク質90 (Hsp90) に結合する複雑な結合機構を,高度なシミュレーションと機械学習を用いて解明し,薬物設計において重要な中間状態を明らかにしました.

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