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Antonia S. J. S. Mey

university of oxford

21H指数
86论文数
1.7K被引数
收录论文 28
发表时间
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data
err2026-03-23
err1
PREAI
errMacDermott-Opeskin, Hugo; Scheen, Jenke; Wognum, Cas; Horton, Joshua T.; West, Devany; Payne, Alexander Matthew; Castellanos, Maria A.; Colby, Sean; Griffen, Edward; Cousins, David; Stacey, Jessica; Reid, Lauren; Aschenbrenner, Jasmin Cara; Fearon, Daren; Balcomb, Blake; Marples, Peter; Tomlinson, Charles W. E.; Lithgo, Ryan; Godoy, Andre S.; Winokan, Max; Barr, Haim; Lahav, Noa; Lavi, Michael; Duberstein, Shirley; Cohen, Galit; Fate, Gwendolyn; Lefker, Bruce; Robinson, Ralph; Szommer, Tamas; Lynch, Nick; Minh, David D. L.; Van Ngoc Thuy La; Kang, Lulu; Huddleston, Kate; Renslow, Ryan; Tollefson, Mallory; Walters, W. Patrick; Xu, Cynthia; Hsu, Jonny; St-Laurent, Julien; Etsmoberg, Honore; Zhu, Lu; Quirke, Andrew; Haleem, Mohamed Iliyas Abdul; Alibay, Irfan; Baid, Gunjan; Birnbaum, Benjamin; Bishop, Kevin P.; Bohorquez, Hugo; Bose, Ashmita; Brown, C. J.; Burns, Jackson; Cai, Lianjin; Cedeno, Ruel; de Cesco, Stephane; Chupakhin, Vladimir; Clark, Finlay; Cole, Daniel J.; Corbi-Verge, Carles; Danial, Muhammad; Davi, Alec; Dehaen, Wim; Doering, Niklas Piet; Dougha, Alexis; Dreanic, Marie-Pierre; Eakin, Bryce; Ehrlich, Anatol; Elijosius, Rokas; Fulop, Jozef; Gitter, Anthony; Goossens, Kenneth; Gu, Yaowen; Head-Gordon, Teresa; Hoffer, Laurent; Hofmans, Johan; Jiang, Ellena; Kaminow, Benjamin; Khosravi, Sina; Khoualdi, Asma Feriel; Lenselink, Eelke Bart; Liu, Zhirong; Liu, Yue; Liu, Sijie; Ma, Yizhou; Maher, Patrick; Mayer, Imke; Mendez-Lucio, Oscar; Mey, Antonia S. J. S.; Michel, Julien; Montanari, Floriane; Niu, Taoyu; Ogino, Ryusei; Palaniappan, Ashok; Pan, Xiaolin; Patnaik, Auro; Pham, Long-Hung; Pinto, Luis; Purnomo, Justin; Rich, Alex; Schaaf, Lars; Schran, Christoph; Singh, Rajeev Kumar; Srilakshmi, Mounika; Srivastava, Satya Pratik; Sun, Kunyang; Sun, Zhaoxi; Talagayev, Valerij; Balakrishnan, Balamurugan Thirukonda Subramanian; Titus, Ida; Tkatchenko, Alexandre; Treyde, Wojtek; Tricarico, Giovanni; Tripp, Austin; Vithayapalert, Nopsinth; Wang, Yingze; Wasi, Azmine Toushik; Wedig, Steffen; Wolber, Gerhard; Xu, Bofei; Zhou, Weijun; von Delft, Frank; Lee, Alpha; Kirkegaard, Karla; Sjo, Peter; Fraser, James S.; Chodera, John D.
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Explainable Active Learning Framework for Ligand Binding Affinity Prediction可解释的主动学习框架用于配体结合亲和力预测
err2025-12-23
err0
errOAAI
errSatya Pratik Srivastava; Rohan Gorantla; Sharath Krishna Chundru; Claire J.R Winkelman; Antonia Mey; Rajeev Kumar Singh
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Learning Binding Affinities via Fine-Tuning of Protein and Ligand Language Models通过微调蛋白质和配体语言模型学习结合亲和力
err2025-10-01
err0
PREAI
errGorantla, Rohan; Gema, Aryo Pradipta; Yang, Ian Xi; Serrano-Morras, Alvaro; Suutari, Benjamin; Juarez-Jimenez, Jordi; Mey, Antonia S. J. S.
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Digital skills in chemical education
err2024-08-23
err1
PREAI
errMcCluskey, Andrew R.; Rivera, Miguel; Mey, Antonia S. J. S.
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Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs
err2024-05-30
err6
errOAAI
errWoods, Christopher J.; Hedges, Lester O.; Mulholland, Adrian J.; Malaisree, Maturos; Tosco, Paolo; Loeffler, Hannes H.; Suruzhon, Miroslav; Burman, Matthew; Bariami, Sofia; Bosisio, Stefano; Calabro, Gaetano; Clark, Finlay; Mey, Antonia S. J. S.; Michel, Julien
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Benchmarking Active Learning Protocols for Ligand-Binding Affinity Prediction
err2024-03-06
err9
errOAAI
errGorantla, Rohan; Kubincova, Alzbeta; Suutari, Benjamin; Cossins, Benjamin P.; Mey, Antonia S. J. S.
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Markov State Models: To Optimize or Not to Optimize
err2024-01-02
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errOAAI
errArbon, Robert E.; Zhu, Yanchen; Mey, Antonia S. J. S.
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From Proteins to Ligands: Decoding Deep Learning Methods for Binding Affinity Prediction
err2023-11-20
err7
errOAAI
errGorantla, Rohan; Kubincova, Alzbeta; Weisse, Andrea Y.; Mey, Antonia S. J. S.
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SILVR: Guided Diffusion for Molecule Generation
err2023-09-19
err12
errOAAI
errRuncie, Nicholas T.; Mey, Antonia S. J. S.
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Efficient Purification of Cowpea Chlorotic Mottle Virus by a Novel Peptide Aptamer一种新型肽适配体高效纯化豇豆褪绿斑驳病毒
err2023-03-07
err2
errOAAI
errTscheuschner, Georg; Ponader, Marco; Raab, Christopher; Weider, Prisca S.; Hartfiel, Reni; Kaufmann, Jan Ole; Voelzke, Jule L.; Bosc-Bierne, Gaby; Prinz, Carsten; Schwaar, Timm; Andrle, Paul; Baessler, Henriette; Nguyen, Khoa; Zhu, Yanchen; Mey, Antonia S. J. S.; Mostafa, Amr; Bald, Ilko; Weller, Michael G.
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Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites
err2021-06-14
err38
errOAAI
errCho, Eunice; Rosa, Margarida; Anjum, Ruhi; Mehmood, Saman; Soban, Mariya; Mujtaba, Moniza; Bux, Khair; Moin, Syed T.; Tanweer, Mohammad; Dantu, Sarath; Pandini, Alessandro; Yin, Junqi; Ma, Heng; Ramanathan, Arvind; Islam, Barira; Mey, Antonia S. J. S.; Bhowmik, Debsindhu; Haider, Shozeb
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Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations
err2021-04-22
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errOAAI
errNelson, Lauren; Bariami, Sofia; Ringrose, Chris; Horton, Joshua T.; Kurdekar, Vadiraj; Mey, Antonia S. J. S.; Michel, Julien; Cole, Daniel J.
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Hybrid Alchemical Free Energy/Machine-Learning Methodology for the Computation of Hydration Free Energies
err2020-07-08
err37
errOAAI
errScheen, Jenke; Wu, Wilson; Mey, Antonia S. J. S.; Tosco, Paolo; Mackey, Mark; Michel, Julien
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Assessment of Binding Affinity via Alchemical Free-Energy Calculations
err2020-05-21
err136
errOAAI
errKuhn, Maximilian; Firth-Clark, Stuart; Tosco, Paolo; Mey, Antonia S. J. S.; Mackey, Mark; Michel, Julien
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Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A
err2020-01-01
err16
errOAAI
errJuarez-Jimenez, Jordi; Gupta, Arun A.; Karunanithy, Gogulan; Mey, Antonia S. J. S.; Georgiou, Charis; Ioannidis, Harris; De Simone, Alessio; Barlow, Paul N.; Hulme, Alison N.; Walkinshaw, Malcolm D.; Baldwin, Andrew J.; Michel, Julien
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Allosteric effects in cyclophilin mutants may be explained by changes in nano-microsecond time scale motions
err2019-03-29
err22
errOAAI
errWapeesittipan, Pattama; Mey, Antonia S. J. S.; Walkinshaw, Malcolm D.; Michel, Julien
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