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Methods for multiscale modeling of membranes

  • Nicolae Goga
  • , Andrzej Rzepiela
  • , Manuel de Sousa Pereira Simoes de Melo
  • , Alex de Vries
  • , Anton Hadar
  • , Albert J. Markvoort
  • , Silvia Nedea
  • , Herman Berendsen

Research output: Chapter in Book/Report/Conference proceeding › Chapter › Academic

6 Citations (Scopus)

Abstract

Multiscale modeling is a recent approach to simulating molecular systems, such as membranes and liposomes, in which different levels of detail are combined. By using distinct models, it is often possible to speed up or enrich the sampling of a given system. Examples are the use in molecular dynamics simulations of both coarse-grained and fine-grained representations, either simultaneously or alternating in time or space domains. Another possible example is the combination of Monte Carlo and molecular dynamics simulations. This chapter reviews the existing proposed methods of multiscale modeling and simulation and also presents new insights into this fascinating new trend.
Original languageEnglish
Title of host publicationAdvances in Planar Lipid Bilayers and Liposomes
EditorsA. Iglic
PublisherAcademic Press
Chapter4
Pages139-170
Number of pages32
Volume15
ISBN (Print)9780123965332
DOIs
Publication statusPublished - 2012

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