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Atomic multipoles optimized energetics for

AMOEBA Atomic multipoles optimized energetics for biological applications APMM Anisotropic polarizable molecular mechanics... [Pg.2]

The AMOEBA (atomic multipole optimized energetics for biomolecular applications) force field, developed by Ponder, Ren, and coworkers, utilizes atomic multipoles to represent permanent electrostatics and induced atomic... [Pg.55]

Ren and coworkers report a new polarizable development and parameterization of their atomic multipole-based optimized energetics for biomolecular simulation, AMOEBA2013 force field for proteins. It uses atomic multipole-based electrostatics and has explicit treatment of dipole polarization. Based on a mutual induction model with Thole damping it describes both intra- and intermolecular polarization. [Pg.616]

See other pages where Atomic multipoles optimized energetics for is mentioned: [Pg.15]    [Pg.120]    [Pg.268]    [Pg.15]    [Pg.120]    [Pg.268]    [Pg.251]   


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Multipole

Multipoles

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