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