Parents (Total: 14)

The searched file hash is included in 14 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	36080
MD5	F0CC0A0F70BF9BA64ED9680FF4296F4B
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	E5969B77024FDF1E97F1B912092C9F82FC67CF82
SHA-256	A9F4C8E37C58C27CBE8F9F3B080535794372DF07A4DE7D4CC288B06070F3DEC7

Key	Value
FileSize	268598
MD5	7206895BA4465EED810CB70A02D26A50
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	4.2.2.1-2
SHA-1	B91501B5A191361FA23596347AC9AD014D4C6949
SHA-256	2A63C5EDA6CFD3BB82657F3291FA91F81B32C8798013C8FF338F015947FF5023

Key	Value
FileSize	45738
MD5	6EC6D8513E409802B49D7EB7D0C4E1B1
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	1DFFAC3E39B20BF98D6AE0809149D95278F0D4DE
SHA-256	22B0023B73C690DDC563910DB4C206330238DDAC8779788A141D31C1A808540F

Key	Value
FileSize	183794
MD5	D1A9B761524DB10B4056B6A7415A3CAD
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	4.2.2.1-2
SHA-1	C97635591BBEC440F7640EC98F0529B4967B5037
SHA-256	886AB783C153399ED1AF854D670B594BDA8BD8ABF78EF09E45D21679A17613D7

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	2703716
MD5	D98AE66FA2C22023B85165D05B9D286B
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	4.2.2.1-2
SHA-1	86BB689E9A041350939FBD3256884A4715E28388
SHA-256	E59C4EB2EE3D6852152CF3AA0FDC8091560453F3844F40E3A6641B30C8AFD697

Key	Value
FileSize	172964
MD5	3440D0566FF7D4C492ED888E88EE86A3
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	4.2.2.1-2
SHA-1	F0A1BF86F38F1EA0AE311D40B8322C828948F19E
SHA-256	DB964F3034DA72BAB10CC9C8F75067C0FC7BC9474C655AA7F1808582D74E8BE7

Key	Value
FileSize	37410
MD5	A5C006D132B86B71CBDB0C71EB8625E1
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	81F40145D57F0B83B420FF25EA919D19D72A9C71
SHA-256	4D6AEF20077A4DE9413E99A6BDC592894AB6EA1DFA49E0482312F59A96FDE7AB

Key	Value
FileSize	94252
MD5	105A6D4880604B700D6936B99D7CF6AA
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	4.2.2.1-2
SHA-1	880E6879FFF6EED39D406E4679F0F4DC0657CB03
SHA-256	0D63E21F02018461439EDCE833E24E708A322C595B6503DCD8565F12EDD829F0

Key	Value
FileSize	157402
MD5	4E487FDF137036A3B0F0DE9AC9D7D3BF
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	4.2.2.1-2
SHA-1	79A90C2088F51B0ADC588ACDD4C858428FDF052E
SHA-256	E53B0E6DDEBF9534989F7892F817C3F2A1A4EFAAF96868E47B5077936A90DFAF

Key	Value
FileSize	50288
MD5	6D355C022044FD42E3C618872F92AA04
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	7BC223CC4816DF642019E7916FCB44B1F39B59E8
SHA-256	F3BC06B5F31E5887F720457E459688F519F06B53B2A506A14F41BBB92B550320

Key	Value
FileSize	190982
MD5	C7A58CE495943A312A35827CA323A94E
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	4.2.2.1-2
SHA-1	411E4CD66A3275A4647172944FCC90E78079AE23
SHA-256	E29F813F5DF510E7A984A487FDA3BD1EED6102775D6C207AC30B09D4BBCB48E6

Key	Value
FileSize	156522
MD5	803B141042C5E7B10FD448B932B99997
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	4.2.2.1-2
SHA-1	456F0B8C9ABB5FC9CEC091B518B2FA7FAF5214BF
SHA-256	259194FCE1CE6F789500D24FF2E218F92BEA8465F08A3BB036E3E407DDF8871F