Parents (Total: 44)

The searched file hash is included in 44 parent files which include package known and seen by metalookup. A sample is included below:

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	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	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	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	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

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

Key	Value
FileSize	1506752
MD5	687EE23C2658710AE374F1E5817EF57D
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	4.0.1-3ubuntu1
SHA-1	121736D113F2BD758AA93EE24F61EB72A26630BC
SHA-256	2F9C4825CA29DE66C15CE2CB5C4D48E59A8B65478F79B2214AA336FA4103B50E

Key	Value
FileSize	156362
MD5	9617AECE59D212B7EF677FAB6A8F397C
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	1709A4DE91A60656939F7A29839D4E0FF5139818
SHA-256	C3D465181D89029F85E2A4B56C1986769CF5BE49F40D0017FB99A0531AA48DA0

Key	Value
FileSize	43016
MD5	1E20C20D260E10942A5B8C387FB514C8
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	35BBAA0D9F8D381A3BC169D0ADE8148BE3326EF8
SHA-256	418F982F86A99671783E4F53BFF1669578D926EE04663D6414B0F12E7198D60C

Key	Value
FileSize	85496
MD5	712EBD987ABF98C8470C1DD3F3F5E8B6
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	4.0.1-3ubuntu1
SHA-1	397FA9FC786E1F3D905F5B107EBBC0C9F08F2D25
SHA-256	395B852443F36A9EF80DD0C9CF6378637B937C3E2C1001C8206517CD1F550D28