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Dynamic Cooperativity of Ligand-Residue Interactions Evaluated with the Fragment Molecular Orbital Method.
Tanaka, Shigenori; Tokutomi, Shusuke; Hatada, Ryo; Okuwaki, Koji; Akisawa, Kazuki; Fukuzawa, Kaori; Komeiji, Yuto; Okiyama, Yoshio; Mochizuki, Yuji.
Afiliación
  • Tanaka S; Graduate School of System Informatics, Department of Computational Science, Kobe University, 1-1 Rokkodai, Nada-ku, Kobe 657-8501, Japan.
  • Tokutomi S; Graduate School of System Informatics, Department of Computational Science, Kobe University, 1-1 Rokkodai, Nada-ku, Kobe 657-8501, Japan.
  • Hatada R; Department of Chemistry and Research Center for Smart Molecules, Faculty of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan.
  • Okuwaki K; Department of Chemistry and Research Center for Smart Molecules, Faculty of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan.
  • Akisawa K; Department of Chemistry and Research Center for Smart Molecules, Faculty of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan.
  • Fukuzawa K; School of Pharmacy and Pharmaceutical Sciences, Hoshi University, 2-4-41 Ebara, Shinagawa-ku, Tokyo 142-8501, Japan.
  • Komeiji Y; Department of Biomolecular Engineering, Graduate School of Engineering, Tohoku University, 6-6-11 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan.
  • Okiyama Y; Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, Japan.
  • Mochizuki Y; Biomedical Research Institute, AIST, Tsukuba Central 6, Tsukuba, Ibaraki 305-8566, Japan.
J Phys Chem B ; 125(24): 6501-6512, 2021 06 24.
Article en En | MEDLINE | ID: mdl-34124906

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Proteínas de la Matriz Viral / SARS-CoV-2 Idioma: En Revista: J Phys Chem B Asunto de la revista: QUIMICA Año: 2021 Tipo del documento: Article País de afiliación: Japón Pais de publicación: Estados Unidos

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Proteínas de la Matriz Viral / SARS-CoV-2 Idioma: En Revista: J Phys Chem B Asunto de la revista: QUIMICA Año: 2021 Tipo del documento: Article País de afiliación: Japón Pais de publicación: Estados Unidos