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Updated: Mar 6, 2026

Mapping the Binding Site of an Aptamer on ATP Using MicroScale Thermophoresis
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Published on: January 7, 2017

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メタダイナミクスシミュレーションによるp38 MAPキナーゼII型阻害剤の解き放つ運動学

Rodrigo Casasnovas1, Vittorio Limongelli2,3, Pratyush Tiwary4

  • 1Computational Biomedicine (IAS-5/INM-9), Forschungszentrum Jülich , Jülich 52425, Germany.

Journal of the American Chemical Society
|March 15, 2017
PubMed
まとめ

P38 MAPキナーゼ阻害剤の解き放つ経路を明らかにした. メタダイナミクスシミュレーションは,結合運動を正確に予測し,薬剤設計における溶解などの重要な要因を特定します.

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