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MARTINI
MARTINI is a coarse-grained force field developed by Marrink and coworkers at the University of Groningen, initially developed in 2004 for molecular dynamics simulation of lipids, later (2007) extended to various other molecules. The force field applies a mapping of four heavy atoms to one CG interaction site and is parametrized with the aim of reproducing thermodynamic properties. == Philosophy == For the Martini force field 4 bead categories have been defined (Q (charged), P (polar), N (nonpolar) and C (apolar)). These bead types are in turn split in 4 or 5 different levels, giving a total of 20 beadtypes.〔 For the interactions between the beads 10 different interaction levels are defined (O-IX). The beads can be used at normal size (4:1 mapping) or S-size (small, 3:1 mapping). The latter is mainly used in ring structures. Bonded interactions (bonds, angles, dihedrals and impropers) are derived from atomistic simulations of crystal structures.〔
抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)』 ■ウィキペディアで「MARTINI」の詳細全文を読む
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