Parents (Total: 23)

The searched file hash is included in 23 parent files which include package known and seen by metalookup. A sample is included below:

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	45584
MD5	101727218FC7115CBA345F70A8EC7F22
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	0DAF42A892747424C6CB1BC622D09CDF6BDDC44A
SHA-256	8725F75C5833015C8ABF287D4DAB158C233CBA28D9FBB6E14BF200B3BA533C5B

Key	Value
FileSize	165776
MD5	5237AA76D81AF759D3FEE6252C204111
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	4.2.6-6
SHA-1	0ECA4A2283A1B3A5D7616EA02C3B418F0FEA21FC
SHA-256	FD51220368EA68274D2E9BC51001842C50B85753F018B3CABAE0A68CBAB79D19

Key	Value
FileSize	3229236
MD5	EF4DD415BDD562812344A4B75F36F018
PackageDescription	test files for AutoDock 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. . This package contain the test files for the AutoDock program.
PackageMaintainer	Debian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
PackageName	autodock-test
PackageSection	science
PackageVersion	4.2.6-6
SHA-1	1F99574D241609A69F0629464609CA52FDE0E7EF
SHA-256	5CD539FF889893A8D9B9AF63DED8A818FF7080F7DC180A5342E77C62C1A91BFF

Key	Value
FileSize	43928
MD5	26EC97B5E396F9F6A8B8F07573492303
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	4C3182313AB419189E2AF2B85033464E09EC280E
SHA-256	56CC4F475993AC70C7F8A06C357FB1F79D0E7B800065923971801D94B2951853

Key	Value
FileSize	159420
MD5	DF4BA95C276F88A36C01CA67814D6C54
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	4.2.6-6
SHA-1	5BC02F65690EC5089A482B71BA0105E566E3BD75
SHA-256	5644D3F565FA6316CE727DF4623DE120F47DC989967F8C6CCB4D2340B97D1B20

Key	Value
FileSize	163420
MD5	50EFB2DE1E0A5FB1DBFA6BD169BA9A3C
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	4.2.6-6
SHA-1	6601E90B4CCB2030F20B25AF066DE9E845DD4E5B
SHA-256	461E3E01B8EFEE48AC2812D2EBB178D1556C04D5971334E34E7D98BECCED5A64

Key	Value
FileSize	47008
MD5	EDAFF3BCD1D848281145917B192D849F
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	743C4BFD479F2A0010BCC350990D8A0D2BFC2015
SHA-256	AD01314F8EE86025A283EB133949A7E335E33EE4877167C3D6B885EFE9E2C543

Key	Value
FileSize	68808
MD5	6EBBB221CAB34A763F43EBF4A4DD1B4C
PackageDescription	test files for AutoGrid The AutoDockSuite addresses the molecular analysis of the docking of a smaller chemical compounds to their receptors of known three-dimensional structure. . This package contain the test files for the AutoGrid program.
PackageMaintainer	Debian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
PackageName	autogrid-test
PackageSection	science
PackageVersion	4.2.6-6
SHA-1	82CC615E7943BB3563CAEB40CFFFDE4A818C6A3A
SHA-256	7328FAC9047DF0188358263BB06E6C09740DA1CE0C418B89F84B590F15400F78

Key	Value
FileSize	47112
MD5	9C6219835DB2066F14B3BCE22C3BDFFB
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	886BA5993D3C58642E98B82CFE1B4A499E277104
SHA-256	8AD75A344AB44366AD8DF60AD95F821DA3DAB0351A3E5CA517A08842AF245D71