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Can the protonation state of histidine residues be determined from molecular dynamics simulations?

EngineeringBiochemistryNatural SciencesProton TransferProton-coupled Electron TransferProtonation StateMolecular BiologyMolecular Dynamics SimulationsHistidine ResiduesComputational ChemistryMolecular DynamicsBiophysicsComputational Biophysics