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

Thomas Simonson; Francesco Villa; Nicolas Panel

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

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1

Thomas Simonson

Function : Author
PersonId : 936642

Laboratoire de Biochimie de l'Ecole polytechnique

Francesco Villa

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Laboratoire de Biochimie de l'Ecole polytechnique

Nicolas Panel

Function : Author
PersonId : 1219225

Laboratoire de Biochimie de l'Ecole polytechnique

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Molecular biology Cellular Biology Quantitative Methods [q-bio.QM] Cancer

Aurélien Arnoux : Connect in order to contact the contributor

https://hal-polytechnique.archives-ouvertes.fr/hal-01981451

Submitted on : Tuesday, January 15, 2019-9:45:16 AM

Last modification on : Friday, March 24, 2023-2:53:09 PM

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hal-01981451 , version 1 (15-01-2019)

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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⟩

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

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