Publication

Computational Modeling of Realistic Cell Membranes

Marrink, S. J., Corradi, V., Souza, P. C. T., Ingólfsson, H. I., Tieleman, D. P. & Sansom, M. S. P., 8-May-2019, In : Chemical reviews. 119, 9, p. 6184-6226 43 p.

Research output: Contribution to journalArticleAcademicpeer-review

Cell membranes contain a large variety of lipid types and are crowded with proteins, endowing them with the plasticity needed to fulfill their key roles in cell functioning. The compositional complexity of cellular membranes gives rise to a heterogeneous lateral organization, which is still poorly understood. Computational models, in particular molecular dynamics simulations and related techniques, have provided important insight into the organizational principles of cell membranes over the past decades. Now, we are witnessing a transition from simulations of simpler membrane models to multicomponent systems, culminating in realistic models of an increasing variety of cell types and organelles. Here, we review the state of the art in the field of realistic membrane simulations and discuss the current limitations and challenges ahead.

Original languageEnglish
Pages (from-to)6184-6226
Number of pages43
JournalChemical reviews
Volume119
Issue number9
Early online date9-Jan-2019
Publication statusPublished - 8-May-2019

    Keywords

  • MOLECULAR-DYNAMICS SIMULATIONS, GRAINED FORCE-FIELD, BACTERIAL OUTER-MEMBRANE, PROTEIN-COUPLED RECEPTORS, CHOLESTEROL INTERACTION SITES, ADENINE-NUCLEOTIDE TRANSLOCASE, HELIX-HELIX INTERACTIONS, LIPID-BINDING SITES, SMALL-ANGLE NEUTRON, PHASE-SEPARATION

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