Antonia S. J. S. Mey

Variational Approach to Molecular Kinetics

Feliks Nüske, Bettina G. Keller, Guillermo Pérez‐Hernández et al. · Journal of Chemical Theory and Computation · 2014 · 322 citations

Spectral Theory, Quantum Dynamic, Molecular Dynamics +14

Assessment of Binding Affinity via Alchemical Free-Energy Calculations

Maximilian Kühn, Stuart Firth‐Clark, Paolo Tosco et al. · Journal of Chemical Information and Modeling · 2020 · 217 citations · Full text

EMMA: A Software Package for Markov Model Building and Analysis

Martin Senne, Benjamin Trendelkamp-Schroer, Antonia S. J. S. Mey et al. · Journal of Chemical Theory and Computation · 2012 · 150 citations

Engineering, Software Framework Emma, Molecular Biology +24

Dynamic properties of force fields

F. Vitalini, Antonia S. J. S. Mey, Frank Noé et al. · The Journal of Chemical Physics · 2015 · 85 citations · Full text

Engineering, Molecular Biology, Classical System +17

Best Practices for Constructing, Preparing, and Evaluating Protein-Ligand Binding Affinity Benchmarks [Article v1.0]

David F. Hahn, Christopher I. Bayly, Melissa L. Boby et al. · Living Journal of Computational Molecular Science · 2022 · 72 citations · Full text