A brief history of visualizing membrane systems in molecular dynamics simulations.
| Autor: | Corey RA; Department of Biochemistry, University of Oxford, Oxford, United Kingdom., Baaden M; Centre Nationale de la Recherche Scientifique, Laboratoire de Biochimie Théorique, Université Paris Cité, Paris, France., Chavent M; Institut de Pharmacologie et Biologie Structurale, CNRS, Université de Toulouse, Toulouse, France. |
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| Jazyk: | angličtina |
| Zdroj: | Frontiers in bioinformatics [Front Bioinform] 2023 May 05; Vol. 3, pp. 1149744. Date of Electronic Publication: 2023 May 05 (Print Publication: 2023). |
| DOI: | 10.3389/fbinf.2023.1149744 |
| Abstrakt: | Understanding lipid dynamics and function, from the level of single, isolated molecules to large assemblies, is more than ever an intensive area of research. The interactions of lipids with other molecules, particularly membrane proteins, are now extensively studied. With advances in the development of force fields for molecular dynamics simulations (MD) and increases in computational resources, the creation of realistic and complex membrane systems is now common. In this perspective, we will review four decades of the history of molecular dynamics simulations applied to membranes and lipids through the prism of molecular graphics. Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest. (Copyright © 2023 Corey, Baaden and Chavent.) |
| Databáze: | MEDLINE |
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