Pakket: autodock-test (4.2.6-9)

[ Bron: autodocksuite  ]

test files for AutoDock

AutoDock is a prime representative of the programs addressing the simulation of the docking of fairly small chemical ligands to rather big protein receptors. Earlier versions had all flexibility in the ligands while the protein was kept rather ridgid. This latest version 4 also allows for a flexibility of selected sidechains of surface residues, i.e., takes the rotamers into account.

This package contain the test files for the AutoDock program.

Tags: Field: Biology, Structural Biology, Made Of: made-of::TODO, made-of::dictionary, Role: Need an extra tag, Application Data, Purpose: use::TODO, use::checking

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• sug: autodock

  analysis of ligand binding to protein structure

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