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tinyIFD: A High-Throughput Binding Pose Refinement Workflow Through Induced-Fit Ligand Docking.
Hsu, Darren J; Davidson, Russell B; Sedova, Ada; Glaser, Jens.
Afiliação
  • Hsu DJ; National Center for Computational Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.
  • Davidson RB; Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.
  • Sedova A; Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.
  • Glaser J; National Center for Computational Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.
J Chem Inf Model ; 63(11): 3438-3447, 2023 06 12.
Article em En | MEDLINE | ID: mdl-37204814

Texto completo: 1 Base de dados: MEDLINE Assunto principal: COVID-19 Tipo de estudo: Prognostic_studies Limite: Humans Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Assunto principal: COVID-19 Tipo de estudo: Prognostic_studies Limite: Humans Idioma: En Ano de publicação: 2023 Tipo de documento: Article