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Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir Compared with Its Initial Screening Hit.
Watanabe, Chiduru; Tanaka, Shigenori; Okiyama, Yoshio; Yuki, Hitomi; Ohyama, Tatsuya; Kamisaka, Kikuko; Takaya, Daisuke; Fukuzawa, Kaori; Honma, Teruki.
Afiliação
  • Watanabe C; Center for Biosystems Dynamics Research, RIKEN, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa 230-0045, Japan.
  • Tanaka S; Department of Computational Science, Graduate School of System Informatics, Kobe University, 1-1 Rokkodai, Nada-ku, Kobe, Hyogo 657-8501, Japan.
  • Okiyama Y; Department of Computational Science, Graduate School of System Informatics, Kobe University, 1-1 Rokkodai, Nada-ku, Kobe, Hyogo 657-8501, Japan.
  • Yuki H; Center for Biosystems Dynamics Research, RIKEN, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa 230-0045, Japan.
  • Ohyama T; Frontier Institute for Biomolecular Engineering Research (FIBER), Konan University, 7-1-20 Minatojima-minamimachi, Kobe 650-0047, Japan.
  • Kamisaka K; Center for Biosystems Dynamics Research, RIKEN, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa 230-0045, Japan.
  • Takaya D; Graduate School of Pharmaceutical Sciences, Osaka University,1-6 Yamadaoka, Suita, Osaka 565-0871, Japan.
  • Fukuzawa K; Graduate School of Pharmaceutical Sciences, Osaka University,1-6 Yamadaoka, Suita, Osaka 565-0871, Japan.
  • Honma T; Center for Biosystems Dynamics Research, RIKEN, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa 230-0045, Japan.
J Phys Chem Lett ; 14(15): 3609-3620, 2023 Apr 20.
Article em En | MEDLINE | ID: mdl-37023394
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: COVID-19 Tipo de estudo: Diagnostic_studies / Screening_studies Limite: Humans Idioma: En Ano de publicação: 2023 Tipo de documento: Article
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: COVID-19 Tipo de estudo: Diagnostic_studies / Screening_studies Limite: Humans Idioma: En Ano de publicação: 2023 Tipo de documento: Article