LIMONADA: A database dedicated to the simulation of biological membranes
| Autor: | Jean-Marc Crowet, Catherine Sarazin, Nicolas Belloy, Manuel Dauchez, Laurence Lins, Sébastien Buchoux |
|---|---|
| Přispěvatelé: | Matrice extracellulaire et dynamique cellulaire - UMR 7369 (MEDyC), Université de Reims Champagne-Ardenne (URCA)-SFR CAP Santé (Champagne-Ardenne Picardie Santé), Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Centre National de la Recherche Scientifique (CNRS), Génie Enzymatique et Cellulaire (GEC), Université de Technologie de Compiègne (UTC)-Université de Picardie Jules Verne (UPJV)-Centre National de la Recherche Scientifique (CNRS), Gembloux Agro-Bio Tech [Gembloux], Université de Liège |
| Rok vydání: | 2021 |
| Předmět: |
Cellular membrane
Databases Factual Computer science [SDV]Life Sciences [q-bio] Molecular systems Molecular Dynamics Simulation 010402 general chemistry computer.software_genre 01 natural sciences Force field (chemistry) Molecular dynamics 0103 physical sciences Organelle Lipid bilayer ComputingMilieux_MISCELLANEOUS 010304 chemical physics Database Cell Membrane Biological membrane General Chemistry Lipids 0104 chemical sciences Computational Mathematics Membrane [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] computer |
| Zdroj: | Journal of Computational Chemistry Journal of Computational Chemistry, Wiley, 2021, ⟨10.1002/jcc.26511⟩ |
| ISSN: | 1096-987X 0192-8651 |
| Popis: | 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/. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Plný text