Quantitative prediction of charge regulation in oligopeptides
Raju Lunkad, Anastasiia Murmiliuk, Pascal Hebbeker, Milan Boublík, Zdeněk Tošner, Miroslav Štěpánek, Peter Košovan
Abstract
Charge regulation in the peptide Glu <sub>5</sub> –His <sub>5</sub> as a model weak ampholyte: simulations predict deviations from the ideal ionization of free aminoacids, in quantitative agreement with experiments.
Topics & Concepts
Charge (physics)OligopeptideBiological systemChemistryBiologyPhysicsBiochemistryPeptideQuantum mechanicsMass Spectrometry Techniques and ApplicationsMolecular Sensors and Ion DetectionProtein Structure and Dynamics