Package: autodock (188.8.131.52-2) [universe]
Links for autodock
Download Source Package autodocksuite:
Original Maintainers (usually from Debian):
- Debian Med Packaging Team (Mail Archive)
- Steffen Moeller
- Charles Plessy
- Nelson A. de Oliveira
- Andreas Tille
It should generally not be necessary for users to contact the original maintainer.
- Homepage [autodock.scripps.edu]
analysis of ligand binding to protein structure
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.
The AutoDock program performs the docking of the ligand to a set of grids describing the target protein. AutoGrid pre-calculates these grids.
Other Packages Related to autodock
- dep: libgcc1 (>= 1:4.1.1)
- GCC support library
- dep: libstdc++6 (>= 4.1.1)
- The GNU Standard C++ Library v3
- sug: autodocktools
- Package not available
- sug: autogrid
- pre-calculate binding of ligands to their receptor