Accurate pKa Calculations in Proteins with Reactive Molecular Dynamics Provide Physical Insight Into the Electrostatic Origins of Their Values

Document Details

Document Type
Pub Defense Publication
Publication Date
Sep 15, 2022
Source ID
10.1021/acs.jpcb.2c04899

Entities

People

  • Chenghan Li
  • Gregory A. Voth
  • Joshua Zuchniarz
  • Yu Liu

Organizations

  • National Institute of General Medical Sciences
  • Office of Naval Research
  • University of Chicago