Hannah M. Baumann

According to our database, Hannah M. Baumann authored at least 5 papers between 2020 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

Efficient Binding Affinity Estimation for Fragment-Based Compounds Using a Separated Topologies Approach.

Ana-Maria Caldaruse, Hannah M. Baumann, David L. Mobley

J. Chem. Inf. Model., 2026

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

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

2023

Going on Adventures with Binding Free Energy Calculations:\newline About Pitfalls and Flashlights, Shackles and Broken Chains

Hannah M. Baumann

PhD thesis, 2023

2020

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, Thomas Fuchß, Ulrich Grädler, Jakub Gunera, Theresa Johnson, Catherine Jorand Lebrun, Srinivasa Karra, Markus Klein, Tim Knehans, Lisa Koetzner, Mireille Krier, Matthias Leiendecker, Birgitta Leuthner, Liwei Li, Igor Mochalkin, Djordje Musil, Constantin Neagu, Friedrich Rippmann, Kai Schiemann, Robert Schulz, Thomas Steinbrecher, Eva-Maria Tanzer, Andrea Unzue Lopez, Ariele Viacava Follis, Ansgar Wegener, Daniel Kuhn

J. Chem. Inf. Model., 2020