Publications of Carter J. Wilson

Behera, sud, S.; Hahn, D. F.; Wilson, C. J.; Marsili, S.; Tresadern, G.; Gapsys, V.; de Groot, B. L.: Quantification of the Impact of Structure Quality on Predicted Binding Free Energy Accuracy. Journal of Chemical Information and Modeling (2025)

Wilson, C. J.; Gapsys, V.; de Groot, B. L.: Improving pK_a Predictions with Reparameterized Force Fields and Free Energy Calculations. Journal of Chemical Theory and Computation 21 (8), pp. 4095 - 4106 (2025)

Wilson, C. J.; de Groot, B. L.; Gapsys, V.: Resolving coupled pH titrations using alchemical free energy calculations. Journal of Computational Chemistry 45 (17), pp. 1444 - 1455 (2024)

Huang, P.; Abacka, H.; Wilson, C. J.; Wind, M. L.; Rutzler, M.; Hagstroem-Andersson, A.; Gourdon, P.; de Groot, B. L.; Venskutonyte, R.; Lindkvist-Petersson, K.: Molecular basis for human aquaporin inhibition. PNAS 121 (7), e2319682121 (2024)

Wilson, C. J.; Gapsys, V.; de Groot, B. L.: Improving pKa prediction accuracy with reparametrized force fields and free energy calculations. ChemRxiv (2025)