Parents (Total: 119)

The searched file hash is included in 119 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	140938
MD5	10F0AF34211FABAEDD617EA2E3239110
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	4.2.6-3
SHA-1	03B4A30A0A2306E1D22B84ABBB8CB79A4F060F42
SHA-256	C1D168BC9D4D30850917EC888DCE775F9F530BB5D3F11AE30632F4BB86CA997B

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	160002
MD5	FF14F1752F52F87EE2458DAD53DC54BB
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	09CFB88DC6131D6F5BE130745E8E8F16A5671072
SHA-256	D6763BB7EA97C75E1592EFA28C9698BC9F45B4035873AD7066EEF9209BBF120B

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	3217120
MD5	9BE0ADF9908C2D0AADEA25387F56956C
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	4.2.6-2
SHA-1	12EF6431C217E54388E2E7422C80BAAE8EF55C9E
SHA-256	AD4782E2737099E0277E53BC2AFA7F890C99A5E493DF8E8630157F0F577EE522

Key	Value
FileSize	145188
MD5	13F12A19E028CADA2583771908CF97E5
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	4.2.6-5
SHA-1	1584A08F3545453E52AB471A62F7F771585C56C3
SHA-256	6E5447DBF6ECD115F7A8627F0DE878202544080E25D5B1A080985832EFAD97FE

Key	Value
FileSize	133818
MD5	3CE98721C0E06ABA19DEBC6063A67A36
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	4.2.6-3
SHA-1	17596365345CA538C3755C79B0507B67D0412966
SHA-256	C720977924A0C688B9BD50A1D7709294AB0E24C3EA10B594D47FBC70ACDB15EB