Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations.
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| Title: | Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations. |
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| Authors: | Mey ASJS; EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh, EH9 3FJ, UK., Jiménez JJ; EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh, EH9 3FJ, UK., Michel J; EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh, EH9 3FJ, UK. mail@julienmichel.net. |
| Source: | Journal of computer-aided molecular design [J Comput Aided Mol Des] 2018 Jan; Vol. 32 (1), pp. 199-210. Date of Electronic Publication: 2017 Nov 13. |
| Publication Type: | Journal Article; Research Support, Non-U.S. Gov't |
| 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 |
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| FullText | Links: – Type: pdflink Text: Availability: 1 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 29134431 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Mey+ASJS%22">Mey ASJS</searchLink>; EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh, EH9 3FJ, UK.<br /><searchLink fieldCode="AU" term="%22Jiménez+JJ%22">Jiménez JJ</searchLink>; EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh, EH9 3FJ, UK.<br /><searchLink fieldCode="AU" term="%22Michel+J%22">Michel J</searchLink>; EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh, EH9 3FJ, UK. mail@julienmichel.net. – 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] 2018 Jan; Vol. 32 (1), pp. 199-210. <i>Date of Electronic Publication: </i>2017 Nov 13. – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article; Research Support, Non-U.S. Gov't – 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=29134431 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1007/s10822-017-0083-9 Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: 199 Titles: – TitleFull: Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Mey ASJS – PersonEntity: Name: NameFull: Jiménez JJ – PersonEntity: Name: NameFull: Michel J IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 01 Text: 2018 Jan Type: published Y: 2018 Identifiers: – Type: issn-electronic Value: 1573-4951 Numbering: – Type: volume Value: 32 – Type: issue Value: 1 Titles: – TitleFull: Journal of computer-aided molecular design Type: main |
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