Antonia S. J. S. Mey
University of Edinburgh(GB)
Publications by Year
Research Areas
Protein Structure and Dynamics, Computational Drug Discovery Methods, Machine Learning in Materials Science, Enzyme Structure and Function, Spectroscopy and Quantum Chemical Studies
Most-Cited Works
- → Variational Approach to Molecular Kinetics(2014)324 cited
- → Assessment of Binding Affinity via Alchemical Free-Energy Calculations(2020)220 cited
- → EMMA: A Software Package for Markov Model Building and Analysis(2012)150 cited
- → Dynamic properties of force fields(2015)86 cited
- → Best Practices for Constructing, Preparing, and Evaluating Protein-Ligand Binding Affinity Benchmarks [Article v1.0](2022)74 cited
- → BioSimSpace: An interoperable Python framework for biomolecular simulation(2019)65 cited
- → Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites(2021)61 cited
- → Hybrid Alchemical Free Energy/Machine-Learning Methodology for the Computation of Hydration Free Energies(2020)53 cited
- → Elucidation of Nonadditive Effects in Protein–Ligand Binding Energies: Thrombin as a Case Study(2016)51 cited
- → Blinded predictions of host-guest standard free energies of binding in the SAMPL5 challenge(2016)45 cited