1)
Tab description:
The CombineGrids tab is used to incorporate the receptor's mobility
in docking calculations based on the work of Österberg et al.
(2002). Briefly, this method combines all the grid maps from the
different receptor conformations and the same probe to obtain a
single grid-map file. In this file, the energy of each point is
obtained from a weighted average of the energies of the same point
in all the original conformational-dependent grid maps (where the
corresponding weight is calculated using either a clamped grid or
a Boltzmann assumption based on the interaction energy). The
Fortran program under this tab is combine_grids and the resulting
grid maps can be readily used by the MakeDocks
tab.

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