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Accurate pKa Calculations in Proteins with Reactive Molecular Dynamics Provide Physical Insight Into the Electrostatic Origins of Their Values.
Zuchniarz, Joshua; Liu, Yu; Li, Chenghan; Voth, Gregory A.
Afiliación
  • Zuchniarz J; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.
  • Liu Y; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.
  • Li C; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.
  • Voth GA; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.
J Phys Chem B ; 126(38): 7321-7330, 2022 09 29.
Article en En | MEDLINE | ID: mdl-36106487
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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Ácido Aspártico / Simulación de Dinámica Molecular Idioma: En Revista: J Phys Chem B Asunto de la revista: QUIMICA Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos
Texto completo
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XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Ácido Aspártico / Simulación de Dinámica Molecular Idioma: En Revista: J Phys Chem B Asunto de la revista: QUIMICA Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos