LIMONADA: A database dedicated to the simulation of biological membranes.
database
force fields
lipid
model membrane
molecular dynamics
Journal
Journal of computational chemistry
ISSN: 1096-987X
Titre abrégé: J Comput Chem
Pays: United States
ID NLM: 9878362
Informations de publication
Date de publication:
30 05 2021
30 05 2021
Historique:
revised:
16
02
2021
received:
04
01
2021
accepted:
19
02
2021
pubmed:
13
3
2021
medline:
21
10
2021
entrez:
12
3
2021
Statut:
ppublish
Résumé
Cellular membranes are composed of a wide diversity of lipid species in varying proportions and these compositions are representative of the organism, cellular type and organelle to which they belong. Because models of these molecular systems simulated by MD steadily gain in size and complexity, they are increasingly representative of specific compositions and behaviors of biological membranes. Due to the number of lipid species involved, of force fields and topologies and because of the complexity of membrane objects that have been simulated, LIMONADA has been developed as an open database allowing to handle the various aspects of lipid membrane simulation. LIMONADA presents published membrane patches with their simulation files and the cellular membrane it models. Their compositions are then detailed based on the lipid identification from LIPID MAPS database plus the lipid topologies and the force field used. LIMONADA is freely accessible on the web at https://limonada.univ-reims.fr/.
Substances chimiques
Lipids
0
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
1028-1033Informations de copyright
© 2021 Wiley Periodicals LLC.
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