Parents (Total: 2)

The searched file hash is included in 2 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
FileSize	158936
MD5	B38B50FB9902F949CA1DB2A37470C42A
PackageDescription	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.
PackageMaintainer	Debian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
PackageName	autodock
PackageSection	science
PackageVersion	4.2.6-3+b1
SHA-1	28AAC27099EF271EDB69B9C49EC5646559089C4D
SHA-256	898D19C0E058E3CE386177266B8996E8B29A4F631F53AFAA5045FEFCA79F2FAD

Key	Value
FileSize	48604
MD5	7E3A83DC3AEAE8D4A67AF356D5E7AA08
PackageDescription	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.
PackageMaintainer	Debian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
PackageName	autogrid
PackageSection	science
PackageVersion	4.2.6-3+b1
SHA-1	ABEC96096CF326AF460E91E8317575A702BD831F
SHA-256	E40E65622656EDAA07D11A924E2920BF242C1E1AFA62CBF862B63F9653737EB2