Title :

Membrane-associated proteins and peptides

Author(s) :

Lensink, Marc [Auteur]
Unité de Glycobiologie Structurale et Fonctionnelle (UGSF) - UMR 8576

Scientific editor(s) :

Kukol, Andreas

Book title :

Molecular Modeling of Proteins

Issue number :

Methods in Molecular Biology

Pages :

109-124

Publisher :

Humana Press

Publication place :

New York N.Y.

Publication date :

2015

ISBN :

978-1-4939-1465-4

ISSN :

1940-6029

English keyword(s) :

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

HAL domain(s) :

Chimie/Chimie théorique et/ou physique

English abstract : [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 ...
Show more >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).Show less >

Language :

Anglais

Audience :

Internationale

Popular science :

Non

Administrative institution(s) :

CNRS
Université de Lille

Collections :

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

Research team(s) :

Computational Molecular Systems Biology

Submission date :

2020-02-12T15:11:24Z
2021-07-15T06:53:18Z