Parents (Total: 16)

The searched file hash is included in 16 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	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	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	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	169574
MD5	6E55D3BFDC6313FA2E884DA12C515426
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	3C3F49F99FBDA5B5700437C20C9C663D199EFF8F
SHA-256	15D2A0CEFDFBFE9CF09D8AF3751EA3950D1222B01BACE912325AC67704D870AB

Key	Value
FileSize	48828
MD5	5DBA9B6393E5FA8AB4752004D1C00134
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	464C53CB2E6BAC37F579D6B4CDAE44C212532C07
SHA-256	80A7F960ADDB92FA61DA23D7CFBFD0E6A5B56BA2770132E737A8D3F1C0ED1C55

Key	Value
FileSize	139300
MD5	CFB2A88EE092D92533EA0A0500FE6E1B
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	620809B6C7DC6B2BD433ADF86AA2554C5C53C1A2
SHA-256	11D7480AA05E73DBB8DA84D5C248B0FFE9D97CC9A89C6DCD455E52714AF4E805

Key	Value
FileSize	38418
MD5	62C440FC6141EA6B013EB6568F89F23E
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	640F43B6A0E92CEC143515ADE6179B8A6A4E5C70
SHA-256	3DC1831DFD62CEBAF82E19D9D45FCBD66B895C3E7D5FD8383491147C300CA8E6

Key	Value
FileSize	185046
MD5	45A7F5B9A8E483206202EE441C042FE6
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	815861021D1369E0C9426F309708CBFE228A5615
SHA-256	86305B0B82125F026249C2F4DFAA18EFAEC9B30F8F5A057DE3305769F6A09881