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Emilia P. Barros

2 results in Authors: Emilia P. Barros

Theoretical and Computational Chemistry

Accelerating Alchemical Free Energy Prediction Using a Multistate Method: Application to Multiple Kinases

Candide Champion, René Gall, Benjamin Ries, Salomé R. Rieder, Emilia P. Barros, Sereina Riniker

Version 2 posted 14 September 2023

390

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Theoretical and Computational Chemistry

Accounting for Solvation Correlation Effects on the Thermodynamics of Water Networks in Protein Cavities

Emilia P. Barros, Benjamin Ries, Candide Champion, Salomé R. Rieder, Sereina Riniker

Version 1 posted 13 December 2022

289

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