Parents (Total: 129)

The searched file hash is included in 129 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
FileSize	40816
MD5	6A1A764DB9E9ACD5CDBA37B3EE0049C8
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	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autogrid
PackageSection	science
PackageVersion	4.2.5.1-6
SHA-1	00C7E79F542516120130DBE3195461C123E9767C
SHA-256	F36FB3A2B8F6FB905CD7FD1FD082B86EB8D9A2344A9019BEEA5B73DA2816ADD0

Key	Value
FileSize	39762
MD5	E8809305DA50CD506A102CE664A97E82
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	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autogrid
PackageSection	science
PackageVersion	4.2.2.1-2
SHA-1	00F8EEFE109249EC205E40162CB64D22D150C534
SHA-256	8B747DA1D2F3E04407D92C6524809A9FFF91D55AB4176B6DF4CEE7F03E025D60

Key	Value
FileSize	39780
MD5	7E09A365F190F72757F8C87843CBC206
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	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autogrid
PackageSection	science
PackageVersion	4.2.5.1-3
SHA-1	027033256FFB31F4FE3DC3AC2C5C61646BE624BC
SHA-256	87CC90D7D68B8FAB1A39FAA08C1B4C8FBD5FD315604EDBF8F4A2A0D2D26E99A0

Key	Value
FileSize	44528
MD5	1E1760BE3794B205A8C18235AF1106C5
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	4.2.6-6
SHA-1	0378E1483208C0236545A2D7934D5810CE23FC39
SHA-256	0E515377B010F7362976B67628CC5D4D80E497A95D53F37582D9D378656D4A8B

Key	Value
FileSize	37526
MD5	FC07922D86BCD1B250D5C7DAC022846B
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	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autogrid
PackageSection	science
PackageVersion	4.2.3-2
SHA-1	03B0E8877315C0D82ECECA261243907F90B0D12A
SHA-256	E984E4A57885C1D863E737EDE91F067F44650AE8D066A49628B67B42580B2493

Key	Value
FileSize	45754
MD5	F1FC9F3E28F92238D2B77BBF05757CE0
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	4.2.6-2
SHA-1	04C6F851E09C0984E9474EAFB0097DAB93B48536
SHA-256	B7A8CA32F29B0E9A7862F81248B5101E90720BFFF1FFD0FC3C8C35F530145AD4

Key	Value
FileSize	31240
MD5	65295F570F857D17E2684404F05913DA
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	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autogrid
PackageSection	science
PackageVersion	4.2.6-6
SHA-1	08812215781832BF299A28BCAC7424C150762E9E
SHA-256	17400C5E2D4C1409E545E61205A65912414D1DAF5FE3C4BF92D6CB147B959751

Key	Value
FileSize	42130
MD5	DE8BA1A78A6B2FDFF0F9FCC7FA1E071E
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	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autogrid
PackageSection	science
PackageVersion	4.2.2.1-2
SHA-1	0A30E55C9C850E559FA1AC3708DEE9AABF5C0946
SHA-256	EFA1BE5BE91E72C66B5B737A93C09ECBF07D11A75505F029DD8B65D563847BF8

Key	Value
FileSize	39048
MD5	5E5A8D8E7E8B526DDE398F56C40131AE
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	Ubuntu MOTU Developers <ubuntu-motu@lists.ubuntu.com>
PackageName	autogrid
PackageSection	science
PackageVersion	4.0.1-4
SHA-1	0A5317959032C5A5A61BB9D6DB17F9F361090F33
SHA-256	393DF0F955A509E92A6B7C8E45BE626B66C393DEB2BAA341CB29C4E32B5AFA27

Key	Value
FileSize	178350
MD5	BEA28EA60C9362A6A1F2C7E08770C3BC
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	Ubuntu MOTU Developers <ubuntu-motu@lists.ubuntu.com>
PackageName	autodock
PackageSection	science
PackageVersion	4.0.1-4
SHA-1	0C452FB14AE0880A06F5399F7BE8D224A4CF65D2
SHA-256	513C6CBA648CF601F0610BC80C4CB91EC862620DF057385203E91F8A1066E4C8