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Conformational analysis poling

For the construction of molecular structures, a 2D formula editor is provided in combination with 3D conversion. Standard potential energy minimization is performed using the modified parameter set of the CHARMm force field [68] the conformational models are built using Monte Carlo conformational analysis together with poling as described in the next section. [Pg.29]

See other pages where Conformational analysis poling is mentioned: [Pg.446] [Pg.83] [Pg.524] [Pg.30] [Pg.402] [Pg.142] [Pg.500] [Pg.69] [Pg.42] [Pg.60] [Pg.66] [Pg.418]

See also in sourсe #XX -- [ Pg.499 , Pg.500 ]

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Conformability Analysis

Conformation analysis

Conformational analysis

POLEDs

Poles

Poling