A Simple Method for Including Polarization Effects in Solvation Free Energy Calculations When Using Fixed-Charge Force Fields: Alchemically Polarized Charges

• Braden D. Kelly,
• William R. Smith

Affiliations

Braden D. Kelly

Department of Mathematics and Statistics, University of Guelph, Guelph, Ontario, Canada

William R. Smith

Department of Mathematics and Statistics, University of Guelph, Guelph, Ontario, Canada