Search

Categories

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(1)

Content Types

Working Paper

(1)

Published Date

Last 3 years

(1)

Keywords

non-equilibrium free energy

Authors

1 results in Keywords: non-equilibrium free energy

Theoretical and Computational Chemistry

Accurately predicting protein pKa values using non-equilibrium alchemy

Carter J. Wilson, Mikko Karttunen, Bert L. de Groot, Vytautas Gapsys

Version 2 posted 29 June 2023

549

Downloads