A molecular dynamics simulation study on the propensity of Asn-Gly-containing heptapeptides towards β-turn structures: Comparison with ab initio quantum mechanical calculations

• Dimitrios A. Mitsikas,

  Roles Formal analysis, Investigation, Methodology, Software, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Department of Molecular Biology and Genetics, Democritus University of Thrace, University campus, Alexandroupolis, Greece

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• Nicholas M. Glykos

  Roles Conceptualization, Project administration, Resources, Supervision, Validation, Writing – original draft, Writing – review & editing

  * E-mail: glykos@mbg.duth.gr

  Affiliation Department of Molecular Biology and Genetics, Democritus University of Thrace, University campus, Alexandroupolis, Greece

  https://orcid.org/0000-0003-3782-206X

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