Fiche publication
Date publication
mars 2021
Journal
Journal of computational chemistry
Auteurs
Membres identifiés du Cancéropôle Est :
Pr DAUCHEZ Manuel
Tous les auteurs :
Crowet JM, Buchoux S, Belloy N, Sarazin C, Lins L, Dauchez M
Lien Pubmed
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/.
Mots clés
database, force fields, lipid, model membrane, molecular dynamics
Référence
J Comput Chem. 2021 Mar 11;:
