Published March 7, 2022
| Version v1
Journal article
Open
MD simulation files for: Molecular dynamics simulations of transmembrane cyclic peptide nanotubes using classical force fields, Hydrogen Mass Repartitioning and Hydrogen Isotope Exchange methods: a critical comparison
- 1. Departamento de Química Orgánica, Center for Research in Biological Chemistry and Molecular Materials, Universidade de Santiago de Compostela
- 2. Departamento de Física Aplicada, Facultade de Física, Universidade de Santiago de Compostela
- 3. Departament de Química Inorgánica i Orgànica and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona
- 4. CIQUP, Centro de Investigação em Química, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade do Porto; Departamento de Química Orgánica, Center for Research in Biological Chemistry and Molecular Materials, Universidade de Santiago de Compostela
Description
Initial structures, mdp files and topologies used in Molecular dynamics simulations of transmembrane cyclic peptide nanotubes using classical force fields, Hydrogen Mass Repartitioning and Hydrogen Isotope Exchange methods: a critical comparison.
Files
Files
(23.6 MB)
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md5:fd3fbda2953e00e4a3f9e274502c236e
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