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Force field scoring functions components

Force field-based scoring functions are based on the nonbonded terms of a classical molecular mechanics force field (e.g.. Amber and CHARMm). A Lennard-Jones potential describes van der Waals interactions, whereas the Coulomb energy describes the electrostatic components of the interactions. The nonbonded interaction energy takes the following form ... [Pg.157]


See other pages where Force field scoring functions components is mentioned: [Pg.282]    [Pg.45]    [Pg.143]    [Pg.8]    [Pg.157]    [Pg.447]    [Pg.52]    [Pg.478]    [Pg.164]   
See also in sourсe #XX -- [ Pg.282 ]




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