On the Use of the Discrete Constant pH Molecular Dynamics to Describe the Conformational Space of Peptides
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DOI: 10.3390/polym13010099
Abstract: Solvent pH is an important property that defines the protonation state of the amino acids and, therefore, modulates the interactions and the conformational space of the biochemical systems. Generally, this thermodynamic variable is poorly considered… read more here.
Keywords: constant molecular; use discrete; amino acids; molecular dynamics ... See more keywords