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AMBER Drug Discovery Boost Tools: Automated Workflow for Production Free-Energy Simulation Setup and Analysis (ProFESSA).
Ganguly, Abir; Tsai, Hsu-Chun; Fernández-Pendás, Mario; Lee, Tai-Sung; Giese, Timothy J; York, Darrin M.
Afiliación
  • Ganguly A; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States.
  • Tsai HC; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States.
  • Fernández-Pendás M; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States.
  • Lee TS; Donostia International Physics Center (DIPC), PK 1072, 20080 Donostia-San Sebastian, Spain.
  • Giese TJ; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States.
  • York DM; Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States.
J Chem Inf Model ; 62(23): 6069-6083, 2022 Dec 12.
Article en En | MEDLINE | ID: mdl-36450130
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Descubrimiento de Drogas / Simulación de Dinámica Molecular Idioma: En Revista: J Chem Inf Model Asunto de la revista: INFORMATICA MEDICA / QUIMICA Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos
Texto completo
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Descubrimiento de Drogas / Simulación de Dinámica Molecular Idioma: En Revista: J Chem Inf Model Asunto de la revista: INFORMATICA MEDICA / QUIMICA Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos