articleJournal of Chemical Theory and ComputationAug 15, 2015GREEN OA

CHARMM-GUI Martini Maker for Coarse-Grained Simulations with the Martini Force Field

University of Kansas · University of Groningen

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Abstract

Coarse-grained simulations are widely used to study large biological systems. Nonetheless, building such simulation systems becomes nontrivial, especially when membranes with various lipid types are involved. Taking advantage of the frameworks in all-atom CHARMM-GUI modules, we have developed CHARMM-GUI Martini Maker for building solution, micelle, bilayer, and vesicle systems as well as systems with randomly distributed lipids using the Martini force field. Martini Maker supports 82 lipid types and different flavors of the Martini force field, including polar and nonpolar Martini, Dry Martini, and ElNeDyn (an elastic network model for proteins). The qualities of the systems generated by Martini Maker are…

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541
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19.43
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100%
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Authors

6

Topics & keywords

Keywords
  • Force field (fiction)
  • Molecular dynamics
  • Computer science
  • Lipid bilayer
  • Polar
  • Vesicle
  • Membrane
  • Chemistry
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