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protonation state

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2 results in Keywords: protonation state

Theoretical and Computational Chemistry

Prediction of Protein pKa with Representation Learning

Hatice Gokcan, Olexandr Isayev

Version 2 posted 10 January 2022

832

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Theoretical and Computational Chemistry

MemCross: Accelerated Weight Histogram method to assess membrane permeability

Mehdi Benmameri, Benjamin Chantemargue, Antoine Humeau, Patrick Trouillas, Gabin Fabre

Version 2 posted 25 October 2022

351

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