Antonia S. J. S. Mey

According to our database, Antonia S. J. S. Mey authored at least 12 papers between 2016 and 2024.

Collaborative distances:

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

2024

From Proteins to Ligands: Decoding Deep Learning Methods for Binding Affinity Prediction.

Rohan Gorantla, Alzbeta Kubincová, Andrea Y. Weiße, Antonia S. J. S. Mey

J. Chem. Inf. Model., 2024

Benchmarking Active Learning Protocols for Ligand-Binding Affinity Prediction.

Rohan Gorantla, Alzbeta Kubincová, Benjamin Suutari, Benjamin P. Cossins, Antonia S. J. S. Mey

J. Chem. Inf. Model., 2024

Dirac-Bianconi Graph Neural Networks - Enabling Non-Diffusive Long-Range Graph Predictions.

Christian Nauck, Rohan Gorantla, Michael Lindner, Konstantin Schürholt, Antonia S. J. S. Mey, Frank Hellmann

CoRR, 2024

2023

SILVR: Guided Diffusion for Molecule Generation.

Nicholas T. Runcie, Antonia S. J. S. Mey

J. Chem. Inf. Model., October, 2023

2021

Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations.

Lauren Nelson, Sofia Bariami, Chris Ringrose, Joshua T. Horton, Vadiraj Kurdekar, Antonia S. J. S. Mey, Julien Michel, Daniel J. Cole

J. Chem. Inf. Model., 2021

Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites.

Eunice Cho, Margarida Rosa, Ruhi Anjum, Saman Mehmood, Mariya Soban, Moniza Mujtaba, Khair Bux, Syed Tarique 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

J. Chem. Inf. Model., 2021

2020

Hybrid Alchemical Free Energy/Machine-Learning Methodology for the Computation of Hydration Free Energies.

Jenke Scheen, Wilson Wu, Antonia S. J. S. Mey, Paolo Tosco, Mark Mackey, Julien Michel

J. Chem. Inf. Model., 2020

Assessment of Binding Affinity via Alchemical Free-Energy Calculations.

Maximilian Kuhn, Stuart Firth-Clark, Paolo Tosco, Antonia S. J. S. Mey, Mark Mackey, Julien Michel

J. Chem. Inf. Model., 2020

2019

BioSimSpace: An interoperable Python framework for biomolecular simulation.

Lester O. Hedges, Antonia S. J. S. Mey, Charles A. Laughton, Francesco L. Gervasio, Adrian J. Mulholland, Christopher J. Woods, Julien Michel

J. Open Source Softw., 2019

2018

Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations.

Antonia S. J. S. Mey, Jordi Juárez Jiménez, Julien Michel

J. Comput. Aided Mol. Des., 2018

2017

Blinded predictions of host-guest standard free energies of binding in the SAMPL5 challenge.

Stefano Bosisio, Antonia S. J. S. Mey, Julien Michel

J. Comput. Aided Mol. Des., 2017

2016

Blinded predictions of distribution coefficients in the SAMPL5 challenge.

Stefano Bosisio, Antonia S. J. S. Mey, Julien Michel

J. Comput. Aided Mol. Des., 2016