Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects. - Christina E. M. Schindler; Hannah M. Baumann; Andreas Blum; Dietrich Böse; Hans-Peter Buchstaller; Lars Burgdorf; Daniel Cappel; Eugene Chekler; Paul Czodrowski; Dieter Dorsch; Merveille K. I. Eguida; Bruce Follows; et al. (J. Chem. Inf. Model., 2020)

Going on Adventures with Binding Free Energy Calculations: newline About Pitfalls and Flashlights, Shackles and Broken Chains - Hannah M. Baumann (2023)

Impact of protein conformations on binding free energy calculations in the beta-secretase 1 system. - Hannah M. Baumann; David L. Mobley (J. Comput. Chem., 2024)

Konnektor: A Framework for Using Graph Theory to Plan Networks for Free Energy Calculations. - Benjamin Ries; Richard J. Gowers; Hannah M. Baumann; David W. H. Swenson; Michael M. Henry; James R. B. Eastwood; Irfan Alibay; David L. Mobley (J. Chem. Inf. Model., 2024)