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AMBER assisted model building with Molecular mechanics

AMBER (assisted model building with energy refinement) a molecular mechanics force field... [Pg.360]

The kind of energy terms, their functional form, and how carefully (number, quality, and kind of reference data) the parameters were derived determine the quality of a force field. Accurate force fields exist for organic molecules (e.g., MM2, MM3), but more approximate force fields (e.g., with fixed bond distances) optimized for computational speed rather than accuracy [e.g., AMBER (assisted model building with energy refinement), CHARMM (chemistry at Harvard molecular mechanics), GROMOS (Groningen molecular simulation)] are the only practical choice for the treatment of large biomolecules. The type of molecular system to be smdied determines the choice of the force field. [Pg.44]

Assisted model building with energy refinement (AMBER) is the name of both a force field and a molecular mechanics program. It was parameterized specifically for proteins and nucleic acids. AMBER uses only five bonding and nonbonding terms along with a sophisticated electrostatic treatment. No cross terms are included. Results are very good for proteins and nucleic acids, but can be somewhat erratic for other systems. [Pg.53]


See other pages where AMBER assisted model building with Molecular mechanics is mentioned: [Pg.119]    [Pg.65]    [Pg.167]    [Pg.58]    [Pg.41]    [Pg.1913]    [Pg.1915]    [Pg.145]    [Pg.314]    [Pg.137]    [Pg.42]    [Pg.222]    [Pg.127]    [Pg.220]    [Pg.221]    [Pg.355]   


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