General Protocol for Constructing Molecular Models of Nanodiscs.

Lipid Bilayers Membrane Proteins Molecular Dynamics Simulation Nanostructures

Journal

Journal of chemical information and modeling
ISSN: 1549-960X
Titre abrégé: J Chem Inf Model
Pays: United States
ID NLM: 101230060

Informations de publication

Date de publication:
28 06 2021
Historique:
pubmed: 29 5 2021
medline: 10 8 2021
entrez: 28 5 2021
Statut: ppublish

Résumé

Nanodisc technology is increasingly being applied for structural and biophysical studies of membrane proteins. In this work, we present a general protocol for constructing molecular models of nanodiscs for molecular dynamics simulations. The protocol is written in python and based on geometric equations, making it fast and easy to modify, enabling automation and customization of nanodiscs

Identifiants

DOI: 10.1021/acs.jcim.1c00157 PMID: 34048229
pubmed: 34048229
doi: 10.1021/acs.jcim.1c00157
doi:

Substances chimiques

Lipid Bilayers 0
Membrane Proteins 0

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

2869-2883

Auteurs

Lisbeth R Kjølbye (LR)

Department of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark.
Novo Nordisk A/S, Novo Nordisk Park 1, 2760 Måløv, Denmark.

Leonardo De Maria (L)

Novo Nordisk A/S, Novo Nordisk Park 1, 2760 Måløv, Denmark.

Tsjerk A Wassenaar (TA)

Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, Nijenborgh 7, 9747 AG Groningen, The Netherlands.
ORCID: 0000-0002-6345-0266

Haleh Abdizadeh (H)

Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, Nijenborgh 7, 9747 AG Groningen, The Netherlands.

Siewert J Marrink (SJ)

Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, Nijenborgh 7, 9747 AG Groningen, The Netherlands.
ORCID: 0000-0001-8423-5277

Jesper Ferkinghoff-Borg (J)

Novo Nordisk A/S, Novo Nordisk Park 1, 2760 Måløv, Denmark.

Birgit Schiøtt (B)

Department of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark.
Interdisciplinary Nanoscience Center, Aarhus University, Gustav Wieds vej 14, 8000 Aarhus C, Denmark.
ORCID: 0000-0001-9937-1562

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Classifications MeSH

questionsmedicales.fr › Technologie, industrie et agriculture › Produits manufacturés › Matériaux biomimétiques › Membrane artificielle › Double couche lipidique › General Protocol for Constructing Molecular...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines membranaires › General Protocol for Constructing Molecular...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › General Protocol for Constructing Molecular...
questionsmedicales.fr › Technologie, industrie et agriculture › Produits manufacturés › Nanostructures › General Protocol for Constructing Molecular...