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

Authors :: Simonson, Thomas
Villa, Francesco
Panel, Nicolas
Laboratoire de Biochimie de l'Ecole polytechnique (BIOC)
École polytechnique (X)-Centre National de la Recherche Scientifique (CNRS)
Arnoux, Aurélien
Source :: Workshop on Free Energy Methods, Kinetics and Markov State Models in Drug Design, Workshop on Free Energy Methods, Kinetics and Markov State Models in Drug Design, May 2018, Boston, France, www.alchemistry.org/wiki/2018_Workshop_on_Free_Energy_Methods,_Kinetics_and_Markov_State_Models_in_Drug_Design
Publication Year :: 2018
Publisher :: HAL CCSD, 2018.
Abstract: International audience

Subjects :: [SDV.BIBS] Life Sciences [q-bio]/Quantitative Methods [q-bio.QM]
[SDV.CAN] Life Sciences [q-bio]/Cancer
[SDV.BBM.BM]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Molecular biology
[SDV.CAN]Life Sciences [q-bio]/Cancer
[SDV.BC]Life Sciences [q-bio]/Cellular Biology
[SDV.BBM.BM] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Molecular biology
[SDV.BC] Life Sciences [q-bio]/Cellular Biology
[SDV.BIBS]Life Sciences [q-bio]/Quantitative Methods [q-bio.QM]
ComputingMilieux_MISCELLANEOUS

Language :: English
Database :: OpenAIRE
Journal :: Workshop on Free Energy Methods, Kinetics and Markov State Models in Drug Design, Workshop on Free Energy Methods, Kinetics and Markov State Models in Drug Design, May 2018, Boston, France, www.alchemistry.org/wiki/2018_Workshop_on_Free_Energy_Methods,_Kinetics_and_Markov_State_Models_in_Drug_Design
Accession number :: edsair.dedup.wf.001..d677650c9766249ae0876a76d407dff9

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