Antonia S. J. S. Mey

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 12

Top Topics

Belief Propagation

Graphical Models

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

J. Open Source Softw.

Publications

Rohan Gorantla, Alzbeta Kubincová, Benjamin Suutari, Benjamin P. Cossins, Antonia S. J. S. Mey
Benchmarking Active Learning Protocols for Ligand-Binding Affinity Prediction. J. Chem. Inf. Model. 64 (6) (2024)
Rohan Gorantla, Alzbeta Kubincová, Andrea Y. Weiße, Antonia S. J. S. Mey
From Proteins to Ligands: Decoding Deep Learning Methods for Binding Affinity Prediction. J. Chem. Inf. Model. 64 (7) (2024)
Christian Nauck, Rohan Gorantla, Michael Lindner, Konstantin Schürholt, Antonia S. J. S. Mey, Frank Hellmann
Dirac-Bianconi Graph Neural Networks - Enabling Non-Diffusive Long-Range Graph Predictions. CoRR (2024)
Nicholas T. Runcie, Antonia S. J. S. Mey
SILVR: Guided Diffusion for Molecule Generation. J. Chem. Inf. Model. 63 (19) (2023)
Eunice Cho, Margarida Rosa, Ruhi Anjum, Saman Mehmood, Mariya Soban, Moniza Mujtaba, Khair Bux, Syed T. Moin, Mohammad Tanweer, Sarath Dantu, Alessandro Pandini, Junqi Yin, Heng Ma, Arvind Ramanathan, Barira Islam, Antonia S. J. S. Mey, Debsindhu Bhowmik, Shozeb M. Haider
Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites. J. Chem. Inf. Model. 61 (6) (2021)
Lauren Nelson, Sofia Bariami, Chris Ringrose, Joshua T. Horton, Vadiraj Kurdekar, Antonia S. J. S. Mey, Julien Michel, Daniel J. Cole
Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations. J. Chem. Inf. Model. 61 (5) (2021)
Maximilian Kuhn, Stuart Firth-Clark, Paolo Tosco, Antonia S. J. S. Mey, Mark Mackey, Julien Michel
Assessment of Binding Affinity via Alchemical Free-Energy Calculations. J. Chem. Inf. Model. 60 (6) (2020)
Jenke Scheen, Wilson Wu, Antonia S. J. S. Mey, Paolo Tosco, Mark Mackey, Julien Michel
Hybrid Alchemical Free Energy/Machine-Learning Methodology for the Computation of Hydration Free Energies. J. Chem. Inf. Model. 60 (11) (2020)
Lester O. Hedges, Antonia S. J. S. Mey, Charles A. Laughton, Francesco L. Gervasio, Adrian J. Mulholland, Christopher J. Woods, Julien Michel
BioSimSpace: An interoperable Python framework for biomolecular simulation. J. Open Source Softw. 4 (43) (2019)
Antonia S. J. S. Mey, Jordi Juárez Jiménez, Julien Michel
Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations. J. Comput. Aided Mol. Des. 32 (1) (2018)
Stefano Bosisio, Antonia S. J. S. Mey, Julien Michel
Blinded predictions of host-guest standard free energies of binding in the SAMPL5 challenge. J. Comput. Aided Mol. Des. 31 (1) (2017)
Stefano Bosisio, Antonia S. J. S. Mey, Julien Michel
Blinded predictions of distribution coefficients in the SAMPL5 challenge. J. Comput. Aided Mol. Des. 30 (11) (2016)