Molecular Dynamics Simulations of Transmembrane Cyclic Peptide Nanotubes Using Classical Force Fields, Hydrogen Mass Repartitioning, and Hydrogen Isotope Exchange Methods: A Critical Comparison

Molecular Dynamics Simulations of Transmembrane Cyclic Peptide Nanotubes Using Classical Force Fields, Hydrogen Mass Repartitioning, and Hydrogen Isotope Exchange Methods: A Critical Comparison

Self-assembled cyclic peptide nanotubes with alternating <i>D</i>- and <i>L</i>-amino acid residues in the sequence of each subunit have attracted a great deal of attention due to their potential for new nanotechnology and biomedical applications, mainly in the field of antim...

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Bibliographic Details
Main Authors: Daniel Conde, Pablo F. Garrido, Martín Calvelo, Ángel Piñeiro, Rebeca Garcia-Fandino
Format: Article
Language:English
Published: MDPI AG 2022-03-01
Series:International Journal of Molecular Sciences
Subjects:
cyclic peptides
antimicrobial peptides
self-assembled peptide nanotubes
molecular dynamics
force field
hydrogen mass repartitioning
Online Access:https://www.mdpi.com/1422-0067/23/6/3158

Internet

https://www.mdpi.com/1422-0067/23/6/3158

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