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Updated: Jul 27, 2026

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors
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薬剤開発におけるコンピューティングの多くの役割

William L Jorgensen1

  • 1Department of Chemistry, Yale University, New Haven, CT 06520-8107, USA. william.jorgensen@yale.edu

Science (New York, N.Y.)
|March 20, 2004
PubMed
まとめ

コンピューティング・ケミストリーは,仮想スクリーニングとデ・ノボ・デザインを通じて,薬剤発見を加速します. また,新しい治療薬の薬剤類似性とタンパク質-リガンド結合の評価にも役立ちます.

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