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Free Energy Perturbation Calculations of Mutation Effects on SARS-CoV-2 RBD::ACE2 Binding Affinity.
Sergeeva, Alina P; Katsamba, Phinikoula S; Liao, Junzhuo; Sampson, Jared M; Bahna, Fabiana; Mannepalli, Seetha; Morano, Nicholas C; Shapiro, Lawrence; Friesner, Richard A; Honig, Barry.
Afiliación
  • Sergeeva AP; Department of Systems Biology, Columbia University Medical Center, New York, NY 10032, USA. Electronic address: https://twitter.com/AlinaSergeeva.
  • Katsamba PS; Zuckerman Mind Brain and Behavior Institute, Columbia University, New York, NY 10027, USA.
  • Liao J; Department of Chemistry, Columbia University, New York, NY 10027, USA.
  • Sampson JM; Department of Chemistry, Columbia University, New York, NY 10027, USA; Schrödinger, Inc., New York, NY 10036, USA.
  • Bahna F; Zuckerman Mind Brain and Behavior Institute, Columbia University, New York, NY 10027, USA.
  • Mannepalli S; Zuckerman Mind Brain and Behavior Institute, Columbia University, New York, NY 10027, USA.
  • Morano NC; Zuckerman Mind Brain and Behavior Institute, Columbia University, New York, NY 10027, USA.
  • Shapiro L; Zuckerman Mind Brain and Behavior Institute, Columbia University, New York, NY 10027, USA; Department of Biochemistry and Molecular Biophysics, Columbia University, New York, NY 10032, USA. Electronic address: lss8@columbia.edu.
  • Friesner RA; Department of Chemistry, Columbia University, New York, NY 10027, USA. Electronic address: raf8@columbia.edu.
  • Honig B; Department of Systems Biology, Columbia University Medical Center, New York, NY 10032, USA; Zuckerman Mind Brain and Behavior Institute, Columbia University, New York, NY 10027, USA; Department of Biochemistry and Molecular Biophysics, Columbia University, New York, NY 10032, USA; Department of Medi
J Mol Biol ; 435(15): 168187, 2023 08 01.
Article en En | MEDLINE | ID: mdl-37355034
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Glicoproteína de la Espiga del Coronavirus / Enzima Convertidora de Angiotensina 2 / SARS-CoV-2 Tipo de estudio: Guideline Límite: Humans Idioma: En Revista: J Mol Biol Año: 2023 Tipo del documento: Article Pais de publicación: Países Bajos
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Glicoproteína de la Espiga del Coronavirus / Enzima Convertidora de Angiotensina 2 / SARS-CoV-2 Tipo de estudio: Guideline Límite: Humans Idioma: En Revista: J Mol Biol Año: 2023 Tipo del documento: Article Pais de publicación: Países Bajos