Accurate PDZ:peptide binding free energies with additive and polarizable free energy simulations

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https://hal-polytechnique.archives-ouvertes.fr/hal-01981451
Contributor : Aurélien Arnoux <>
Submitted on : Tuesday, January 15, 2019 - 9:45:16 AM
Last modification on : Wednesday, March 27, 2019 - 3:56:02 PM

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  • HAL Id : hal-01981451, version 1

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Thomas Simonson, Francesco Villa, Nicolas Panel. Accurate PDZ:peptide binding free energies with additive and polarizable free energy simulations. Workshop on Free Energy Methods, Kinetics and Markov State Models in Drug Design, May 2018, Boston, France. ⟨hal-01981451⟩

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