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Physical Chemistry

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Theoretical and Computational Chemistry

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Guilherme Duarte Ramos Matos

3 results in Authors: Guilherme Duarte Ramos Matos

Physical Chemistry

Challenges of the Use of Atomistic Simulations to Predict Solubilities of Drug-like Molecules

Guilherme Duarte Ramos Matos, David Mobley

Version 1 posted 10 May 2018

757

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1

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Theoretical and Computational Chemistry

Reproducibility of Free Energy Calculations Across Different Molecular Simulation Software

Hannes H. Loeffler, Stefano Bosisio, Guilherme Duarte Ramos Matos, Donghyuk Suh, Benoît Roux, David L. Mobley, Julien Michel

Version 1 posted 04 June 2018

989

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Physical Chemistry

Infinite Dilution Activity Coefficients as Constraints for Force Field Parameterization and Method Development

Guilherme Duarte Ramos Matos, Gaetano Calabró, David Mobley

Version 3 posted 05 March 2019

1,293

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