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Accurate Binding Configuration Prediction of a G-Protein-Coupled Receptor to Its Antagonist Using Multicanonical Molecular Dynamics-Based Dynamic Docking.
Bekker, Gert-Jan; Araki, Mitsugu; Oshima, Kanji; Okuno, Yasushi; Kamiya, Narutoshi.
Afiliación
  • Bekker GJ; Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka 565-0871, Japan.
  • Araki M; Graduate School of Medicine, Kyoto University, 53 Shogoin-Kawaharacho, Sakyo-ku, Kyoto 606-8507, Japan.
  • Oshima K; Biotechnology Research Laboratories, Kaneka Corporation, 1-8 Miyamae-cho, Takasago-cho, Takasago, Hyogo 676-8688, Japan.
  • Okuno Y; Graduate School of Medicine, Kyoto University, 53 Shogoin-Kawaharacho, Sakyo-ku, Kyoto 606-8507, Japan.
  • Kamiya N; Graduate School of Information Science, University of Hyogo, 7-1-28 Minatojima Minami-machi, Chuo-ku, Kobe, Hyogo 650-0047, Japan.
J Chem Inf Model ; 61(10): 5161-5171, 2021 10 25.
Article en En | MEDLINE | ID: mdl-34549581
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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Receptores Acoplados a Proteínas G / Simulación de Dinámica Molecular Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Año: 2021 Tipo del documento: Article
Texto completo
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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Receptores Acoplados a Proteínas G / Simulación de Dinámica Molecular Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Año: 2021 Tipo del documento: Article