Parents (Total: 53)

The searched file hash is included in 53 parent files which include package known and seen by metalookup. A sample is included below:

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	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	185262
MD5	E91AF22AD5D5EE8B52939D1BEAF2CB55
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 Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autodock
PackageSection	science
PackageVersion	4.2.1+rc1-2
SHA-1	04B48B396917D51ED77CB2AC9F630B61BCABEBFE
SHA-256	0CD314AB2063464A975AD344D7BA17DD7AC26F8F1ED6BEBB69E9452962BB80A5

Key	Value
FileSize	94424
MD5	FDB14DF88E435761A21431F449075098
PackageDescription	test files for AutoGrid This package contain the test files for the AutoGrid program.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autogrid-test
PackageSection	science
PackageVersion	4.2.3-1
SHA-1	05ADBC33956933C7CE64BA05816B0F9A6E913B70
SHA-256	576DB17951BA853D8034DCAD48448FCA70F7C7F829084AC64BFFAB6144E431F8

Key	Value
FileSize	153564
MD5	99EBBB4EA42D645558F4BC6E7980D441
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 Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autodock
PackageSection	science
PackageVersion	4.2.1+rc1-2
SHA-1	08D58BDF94CBF41AFB2D21E659130A5C6D818B81
SHA-256	9C21AA654756EFAE49E76DAE80F681FD15E022767F6B5357ABE2FD06916B80A5

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	263006
MD5	6319224D85E22CAE9E61E6B4AC5302D7
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 Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autodock
PackageSection	science
PackageVersion	4.2.1+rc1-2
SHA-1	0B3431ECA977FA2FB0801807E63B04866D2DBDA3
SHA-256	490A36B3D7317F0BC844E4F707087AD968788A6F061EC87248BFDAC3FEDB9721

Key	Value
FileSize	167776
MD5	7F6049B246300F1CE03DBD17FFD3C528
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 Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autodock
PackageSection	science
PackageVersion	4.2.3-2
SHA-1	0B426859D05C57A82B9C3AC2FC4B45984A7E57DF
SHA-256	13491B4BA19A82C741065B341C5D6EF6ECAED478546F619485BF6442F694AE50

Key	Value
FileSize	2704500
MD5	7109D2917E559B6B9EFFDA44BE44B776
PackageDescription	test files for AutoDock This package contain the test files for the AutoDock program.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	autodock-test
PackageSection	science
PackageVersion	4.2.3-1
SHA-1	0CD55EF5488E9A3CBE688A2F4418D838AF6226C1
SHA-256	1B5336C6125342584F0BE8C13971103BB9FFEEC3D0E58EB1FF11237D73503DE8

Key	Value
FileSize	34652
MD5	D1A0D85865F5AC8C482F79D504706435
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	4.2.1+rc1-2
SHA-1	1079293F3C8B51245570FEC14764061F13D95FEC
SHA-256	F17B75E1752ED96FBAEB1EAC53047E2C10D25589CC81F8D342E602CCC206AEA7