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 D- and L-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 antimicrobial peptides. Molecular dynamics...

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Detalles Bibliográficos
Autores principales: Conde, Daniel, Garrido, Pablo F., Calvelo, Martín, Piñeiro, Ángel, Garcia-Fandino, Rebeca
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8951607/
https://www.ncbi.nlm.nih.gov/pubmed/35328578
http://dx.doi.org/10.3390/ijms23063158

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8951607/
https://www.ncbi.nlm.nih.gov/pubmed/35328578
http://dx.doi.org/10.3390/ijms23063158

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