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Free Energy Landscapes from SARS-CoV-2 Spike Glycoprotein Simulations Suggest that RBD Opening Can Be Modulated via Interactions in an Allosteric Pocket.
Fallon, Lucy; Belfon, Kellon A A; Raguette, Lauren; Wang, Yuzhang; Stepanenko, Darya; Cuomo, Abbigayle; Guerra, Jose; Budhan, Stephanie; Varghese, Sarah; Corbo, Christopher P; Rizzo, Robert C; Simmerling, Carlos.
Afiliación
  • Fallon L; Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, New York 11794, United States.
  • Belfon KAA; Department of Chemistry, Stony Brook University, Stony Brook, New York 11794, United States.
  • Raguette L; Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, New York 11794, United States.
  • Wang Y; Department of Chemistry, Stony Brook University, Stony Brook, New York 11794, United States.
  • Stepanenko D; Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, New York 11794, United States.
  • Cuomo A; Department of Chemistry, Stony Brook University, Stony Brook, New York 11794, United States.
  • Guerra J; Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, New York 11794, United States.
  • Budhan S; Department of Chemistry, Stony Brook University, Stony Brook, New York 11794, United States.
  • Varghese S; Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, New York 11794, United States.
  • Corbo CP; Department of Applied Mathematics and Statistics, Stony Brook University, Stony Brook, New York 11794, United States.
  • Rizzo RC; Department of Chemistry, Stony Brook University, Stony Brook, New York 11794, United States.
  • Simmerling C; Department of Biochemistry and Cell Biology, Stony Brook University, Stony Brook, New York 11794, United States.
J Am Chem Soc ; 143(30): 11349-11360, 2021 08 04.
Article en En | MEDLINE | ID: mdl-34270232
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Glicoproteína de la Espiga del Coronavirus / SARS-CoV-2 Idioma: En Revista: J Am Chem Soc Año: 2021 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: Glicoproteína de la Espiga del Coronavirus / SARS-CoV-2 Idioma: En Revista: J Am Chem Soc Año: 2021 Tipo del documento: Article País de afiliación: Estados Unidos