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HINT force field

Amadasi, A., Spyrakis, E., Cozzini, P., Abraham, D.)., Kellogg, G. E Mozzarelli, A. Mapping the energetics of water-protein and water-ligand interactions with the natural HINT force field predictive tools for characterizing the roles of water in biomolecules. J. Mol. Biol. 2006, 358, 289-309. [Pg.404]

The greater mobility of nucleic acids in solution is associated with a larger sensitivity to simulation conditions. This is illustrated by the A B and B A DNA transitions observed on the nanosecond timescale by two groups using different force fields. Such simulations, if they were not able to give a consensus view of the conformational preferences of these molecules in solution, give essential hints for future developments. Furthermore, they point to the important fact that the reliability of MD simulations on long timescales is intimately correlated with the accuracy of the available force fields. These make clear that future improvements of nucleic... [Pg.1637]


See other pages where HINT force field is mentioned: [Pg.193]    [Pg.193]    [Pg.325]    [Pg.391]    [Pg.397]    [Pg.1256]    [Pg.487]    [Pg.325]    [Pg.171]    [Pg.173]    [Pg.248]    [Pg.56]    [Pg.48]    [Pg.7]    [Pg.392]    [Pg.136]    [Pg.325]    [Pg.105]    [Pg.274]    [Pg.209]    [Pg.49]    [Pg.1131]    [Pg.1141]    [Pg.54]    [Pg.509]    [Pg.228]    [Pg.21]    [Pg.51]    [Pg.539]    [Pg.264]    [Pg.509]    [Pg.252]    [Pg.256]    [Pg.307]    [Pg.77]   
See also in sourсe #XX -- [ Pg.193 ]




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