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Updated: Feb 16, 2026

15N CPMG Relaxation Dispersion for the Investigation of Protein Conformational Dynamics on the µs-ms Timescale
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タイムスケールの無偏の分子ダイナミクス 薬物の解き放たれ 移行状態の安定化相互作用を明らかにする

Samuel D Lotz1, Alex Dickson1

  • 1Michigan State University , East Lansing, Michigan 48823, United States.

Journal of the American Chemical Society
|January 6, 2018
PubMed
まとめ

この研究は,WExploreアルゴリズムを使用して,薬理学的に関連する時間スケールでの薬剤解約の最初の完全なシミュレーションを提示します. この発見は複数の解き放つ経路を明らかにし,動力学を通して薬の有効性を最適化するための洞察を提供します.

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