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Antonia S. J. S. Mey

3 results in Authors: Antonia S. J. S. Mey

Theoretical and Computational Chemistry

A Hybrid Alchemical Free Energy and Machine Learning Methodology for the Calculation of Absolute Hydration Free Energies of Small Molecules

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

Version 1 posted 29 May 2020

884

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1

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Theoretical and Computational Chemistry

Markov state models: to optimize or not to optimize

Robert Arbon, Yanchen Zhu, Antonia S. J. S. Mey

Version 2 posted 16 October 2023

391

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Theoretical and Computational Chemistry

Automated 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

Version 1 posted 07 February 2020

1,552

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