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MARTINI force field

Marrink, S.J., Risselada, H.J., Yefimov, S., Tieleman, D.P., de Vries, A.H. The MARTINI force field coarse grained model for biomolecular simulations. J. Phys. Chem. B 2007, 111, 7812-24. [Pg.18]

Yesylevskyy, S. 0., Schafer, L. V, Sengupta, D., and Marrink, S. J. [2010). Polarizable water model for the coarse-grained MARTINI force field, PLoSComput. Biol, 6, pp. elOOOSlO. [Pg.490]

Massink SJ, Risselada HJ, Yefimov S, Tleleman DP, de Vries AH (2007) The MARTINI force field coarse grained model for blomolecular simulations. J Phys Chem B 111 7812-7824... [Pg.103]

The range of applications of the MARTINI force field is very broad. There are, however, certain important limitations that should be kept in mind. For example, the model has been parameterized for the fluid phase. Thus, properties of solids, such as crystal packing, are not expected to be accurate. On the other hand, both the gas and the solid phase appear somewhat too stable with respect to the fluid phase [91], and therefore the thermodynamic behavior of solid-fluid and gas-fluid interfaces should be interpreted with care, at least at the quantitative level. [Pg.313]

L6pez EA, Sovova Z, van Eerden FJ, de Vries AH, Marrink SJ (2013) MARTINI force field parameters for glycolipids. J Chem Theory Comput 9(3) 1694-1708... [Pg.274]

Yesylevskyy SO, Schafer LV, Sengupta D, Marrink SJ (2010) Polarizable water model for the coarsegrained MARTINI force field. PLoS Comput Biol 6 elOOOSlO... [Pg.782]

Mesoscopic CGMD Based on MARTINI Force Field... [Pg.136]

Some coarse-grained simulation methods have been estabHshed to understand the structure—property relationships of material interfaces, which include BD, dissipative particle dynamics (DPD), and CGMD based on MARTINI force field, and many efforts have focused on the protein adsorption, interfacial behavior and surface wettabihty, and so on. [Pg.154]

This is at the base, for example, of the MARTINI force field, which is to date one of the most popular and broadly used CG models in the literature." In particular, this model uses strictly the same harmonic or periodic analytical form for the stretching, bending and torsional distortion associated to bonds, angles and dihedral structural parameters, and Coulomb and Lennard-Jones like potentials for the non-bonded parts. [Pg.11]


See other pages where MARTINI force field is mentioned: [Pg.496]    [Pg.497]    [Pg.510]    [Pg.3]    [Pg.18]    [Pg.292]    [Pg.312]    [Pg.312]    [Pg.313]    [Pg.243]    [Pg.268]    [Pg.269]    [Pg.136]    [Pg.138]    [Pg.49]    [Pg.239]    [Pg.76]    [Pg.130]    [Pg.207]   
See also in sourсe #XX -- [ Pg.312 ]

See also in sourсe #XX -- [ Pg.49 ]




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