Hannah M. Baumann

Statistics

Publications

Citations

525

H-Index

Active since

2020

Affiliations

University of California, Irvine(Current)

Janssen (Belgium)

Max Planck Institute for Biophysical Chemistry

Massachusetts Institute of Technology

Hannah M. Baumann is an author at University of California, Irvine specializing in drug discovery, protein-ligand binding free energy calculations, and medicinal chemistry.

ORCID

Publications per year

2020–2024

Publications

Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects

Christina Schindler, Hannah M. Baumann, Andreas Blum et al. · Journal of Chemical Information and Modeling · 2020 · 311 citations

Pharmacy, Chemistry, Medicinal Chemistry +14

Alchemical absolute protein–ligand binding free energies for drug design

Yuriy Khalak, Gary Tresadern, Matteo Aldeghi et al. · Chemical Science · 2021 · 92 citations · Full text

Pharmacy, Biophysics, Medicinal Chemistry +11

Challenges Encountered Applying Equilibrium and Nonequilibrium Binding Free Energy Calculations

Hannah M. Baumann, Vytautas Gapsys, Bert L. de Groot et al. · The Journal of Physical Chemistry B · 2021 · 55 citations · Full text

Natural Sciences, Biochemistry, Chemistry +16

Broadening the Scope of Binding Free Energy Calculations Using a Separated Topologies Approach

Hannah M. Baumann, Eric Dybeck, Christopher L. McClendon et al. · Journal of Chemical Theory and Computation · 2023 · 38 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +16

Alchemical Absolute Protein-Ligand Binding Free Energies for Drug Design

Yuriy Khalak, Gary Tresadern, Matteo Aldeghi et al. · ChemRxiv · 2021 · 19 citations · Full text

Pharmacy, Biophysics, Medicinal Chemistry +12

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