Antonia S. J. S. Mey

According to our database, Antonia S. J. S. Mey authored at least 14 papers between 2016 and 2026.

Collaborative distances:

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

2026

A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data.

Hugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum, Joshua T. Horton, Devany West, Alexander Matthew Payne, Maria A. Castellanos, Sean Colby, Edward J. Griffen, David Cousins, Jessica Stacey, Lauren Reid, Jasmin Cara Aschenbrenner, Daren Fearon, Blake Balcomb, Peter Marples, Charles W. E. Tomlinson, Ryan Lithgo, Andre S. Godoy, Max Winokan, Haim Barr, Noa Lahav, Michael Lavi, Shirley Duberstein, Galit Cohen, Gwendolyn Fate, Bruce Lefker, Ralph Robinson, Tamas Szommer, Nick Lynch, David D. L. Minh, Van Ngoc Thuy La, Lulu Kang, Kate Huddleston, Ryan Renslow, Mallory R. Tollefson, W. Patrick Walters, Cynthia Xu, Jonny Hsu, Julien St-Laurent, Honore Etsmoberg, Lu Zhu, Andrew Quirke, Mohamed Iliyas Abdul Haleem, Irfan Alibay, Gunjan Baid, Benjamin Birnbaum, Kevin P. Bishop, Hugo-Javier Bohórquez, Ashmita Bose, C. J. Brown, Jackson W. Burns, Lianjin Cai, Ruel Cedeno, Stephane de Cesco, Vladimir I. Chupakhin, Finlay Clark, Daniel J. Cole, Carles Corbi-Verge, Muhammad Danial, Alec Davi, Wim Dehaen, Niklas Piet Doering, Alexis Dougha, Marie-Pierre Dréanic, Bryce Eakin, Anatol Ehrlich, Rokas Elijosius, Jozef Fülöp, Anthony Gitter, Kenneth Goossens, Yaowen Gu, Teresa Head-Gordon, Laurent Hoffer, Johan Hofmans, Ellena Jiang, Benjamin Kaminow, Sina Khosravi, Asma Feriel Khoualdi, Eelke B. Lenselink, Zhirong Liu, Yue Liu, Sijie Liu, Yizhou Ma, Patrick Maher, Imke Mayer, Oscar Mendez-Lucio, Antonia S. J. S. Mey, Julien Michel, Floriane Montanari, Taoyu Niu, Ryusei Ogino, Ashok Palaniappan, Xiaolin Pan, Auro Patnaik, Long-Hung Dinh Pham, Luis Pinto, Justin Purnomo, Alex Rich, Lars L. Schaaf, Christoph Schran, Rajeev Kumar Singh, Mounika Srilakshmi, Satya Pratik Srivastava, Kunyang Sun, Zhaoxi Sun, Valerij Talagayev, Balamurugan Thirukonda Subramanian Balakrishnan, Ida Titus, Alexandre Tkatchenko, Wojtek Treyde, Giovanni Tricarico, Austin Tripp, Nopsinth Vithayapalert, Yingze Wang, Azmine Toushik Wasi, Steffen Wedig, Gerhard Wolber, Bofei Xu, Weijun Zhou, Frank von Delft, Alpha Lee, Karla Kirkegaard, Peter Sjö, James S. Fraser, John D. Chodera

J. Chem. Inf. Model., 2026

2025

Learning Binding Affinities via Fine-Tuning of Protein and Ligand Language Models.

Rohan Gorantla, Aryo Pradipta Gema, Ian Xi Yang, Álvaro Serrano-Morrás, Benjamin Suutari, Jordi Juárez Jiménez, Antonia S. J. S. Mey

J. Chem. Inf. Model., 2025

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

Proceedings of the Geometry-grounded Representation Learning and Generative Modeling Workshop (GRaM) at ICML 2024, 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 Chandra 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