Publications
Journal Article (3)
1.
Journal Article
Resolving coupled pH titrations using alchemical free energy calculations. Journal of Computational Chemistry (2024)
2.
Journal Article
121 (7), e2319682121 (2024)
Molecular basis for human aquaporin inhibition. PNAS 3.
Journal Article
20 (2), pp. 914 - 925 (2024)
Guidelines for Free-Energy Calculations Involving Charge Changes. Journal of Chemical Theory and Computation