Titre :

Membrane-associated proteins and peptides

Auteur(s) :

Lensink, Marc [Auteur]

Titre de la revue :

Methods in molecular biology (Clifton, N.J.)

Nom court de la revue :

Methods Mol. Biol.

Numéro :

1215

Pagination :

109-124

Date de publication :

2015

ISSN :

1940-6029

Mot(s)-clé(s) en anglais :

Deuterium
Solvents
Phosphatidylethanolamines
Salts
Lipid Bilayers
Protein Structure, Secondary
Peptides
1,2-Dipalmitoylphosphatidylcholine
Lipids
Membrane Protein
Molecular Dynamics Simulation

Discipline(s) HAL :

Chimie/Chimie théorique et/ou physique

Résumé en anglais : [en]

This chapter discusses the practical aspects of setting up molecular dynamics simulations of membrane-associated proteins and peptides, and the analysis thereof. Topology files for selected lipids are provided and selected ...
Lire la suite >This chapter discusses the practical aspects of setting up molecular dynamics simulations of membrane-associated proteins and peptides, and the analysis thereof. Topology files for selected lipids are provided and selected analysis tools presented. These include tools for the creation of lipid bilayers of mixed lipid content (DOPE) and easy extraction of lipid coordinates (g_zcoor, g_xycoor), the calculation of helical axes (g_helixaxis) and aromatic order parameters (g_arom), the determination of peptide- or protein-interacting lipids (g_under), and the investigation of lipid-specific interactions through the calculation of lipid-bridged residue-residue contacts (g_prolip).Lire moins >

Langue :

Anglais

Établissement(s) :

CNRS
Université de Lille

Collections :

• Unité de Glycobiologie Structurale et Fonctionnelle (UGSF) - UMR 8576

Équipe(s) de recherche :

Computational Molecular Systems Biology

Date de dépôt :

2020-02-12T15:11:24Z