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Pakket: autogrid (4.2.6-9) [debports]

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pre-calculate binding of ligands to their receptor

The AutoDockSuite addresses the molecular analysis of the docking of a smaller chemical compounds to their receptors of known three-dimensional structure.

The AutoGrid program performs pre-calculations for the docking of a ligand to a set of grids that describe the effect that the protein has on point charges. The effect of these forces on the ligand is then analysed by the AutoDock program.

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autogrid downloaden

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Platform Pakketgrootte Geïnstalleerde grootte Bestanden
m68k (unofficial port) 45,2 kB108,0 kB [overzicht]