Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein-ligand binding challenge.
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| Title: | Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein-ligand binding challenge. |
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| Authors: | Perryman AL; Department of Integrative Structural & Computational Biology, The Scripps Research Institute, La Jolla, CA, USA., Santiago DN; Department of Integrative Structural & Computational Biology, The Scripps Research Institute, La Jolla, CA, USA., Forli S; Department of Integrative Structural & Computational Biology, The Scripps Research Institute, La Jolla, CA, USA., Martins DS; Department of Integrative Structural & Computational Biology, The Scripps Research Institute, La Jolla, CA, USA.; Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade do Porto, Porto, Portugal., Olson AJ; Department of Integrative Structural & Computational Biology, The Scripps Research Institute, La Jolla, CA, USA. |
| Source: | Journal of computer-aided molecular design [J Comput Aided Mol Des] 2014 Apr; Vol. 28 (4), pp. 429-441. Date of Electronic Publication: 2014 Feb 04. |
| Publication Type: | Journal Article; Research Support, N.I.H., Extramural |
| Journal Info: | Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Links: – Type: pdflink Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 24493410 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein-ligand binding challenge. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Perryman+AL%22">Perryman AL</searchLink>; Department of Integrative Structural & Computational Biology, The Scripps Research Institute, La Jolla, CA, USA.<br /><searchLink fieldCode="AU" term="%22Santiago+DN%22">Santiago DN</searchLink>; Department of Integrative Structural & Computational Biology, The Scripps Research Institute, La Jolla, CA, USA.<br /><searchLink fieldCode="AU" term="%22Forli+S%22">Forli S</searchLink>; Department of Integrative Structural & Computational Biology, The Scripps Research Institute, La Jolla, CA, USA.<br /><searchLink fieldCode="AU" term="%22Martins+DS%22">Martins DS</searchLink>; Department of Integrative Structural & Computational Biology, The Scripps Research Institute, La Jolla, CA, USA.; Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade do Porto, Porto, Portugal.<br /><searchLink fieldCode="AU" term="%22Olson+AJ%22">Olson AJ</searchLink>; Department of Integrative Structural & Computational Biology, The Scripps Research Institute, La Jolla, CA, USA. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%228710425%22">Journal of computer-aided molecular design</searchLink> [J Comput Aided Mol Des] 2014 Apr; Vol. 28 (4), pp. 429-441. <i>Date of Electronic Publication: </i>2014 Feb 04. – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article; Research Support, N.I.H., Extramural – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Springer%22">Springer </searchLink><i>Country of Publication: </i>Netherlands <i>NLM ID: </i>8710425 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1573-4951 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%220920654X%22">0920654X </searchLink><i>NLM ISO Abbreviation: </i>J Comput Aided Mol Des <i>Subsets: </i>MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=24493410 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1007/s10822-014-9709-3 Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: 429 Titles: – TitleFull: Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein-ligand binding challenge. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Perryman AL – PersonEntity: Name: NameFull: Santiago DN – PersonEntity: Name: NameFull: Forli S – PersonEntity: Name: NameFull: Martins DS – PersonEntity: Name: NameFull: Olson AJ IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 04 Text: 2014 Apr Type: published Y: 2014 Identifiers: – Type: issn-electronic Value: 1573-4951 Numbering: – Type: volume Value: 28 – Type: issue Value: 4 Titles: – TitleFull: Journal of computer-aided molecular design Type: main |
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