Estimation of Solvation Entropy and Enthalpy via Analysis of Water Oxygen-Hydrogen Correlations.
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| Title: | Estimation of Solvation Entropy and Enthalpy via Analysis of Water Oxygen-Hydrogen Correlations. |
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| Authors: | Velez-Vega C; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research , 100 Technology Square, Cambridge, Massachusetts 02139, United States., McKay DJ; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research , 100 Technology Square, Cambridge, Massachusetts 02139, United States., Kurtzman T; Department of Chemistry, Lehman College, The City University of New York , 250 Bedford Park Boulevard West, Bronx, New York 10468, United States.; Ph.D. Program in Chemistry, The Graduate Center of the City University of New York , New York, New York 10016, United States., Aravamuthan V; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research , 100 Technology Square, Cambridge, Massachusetts 02139, United States., Pearlstein RA; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research , 100 Technology Square, Cambridge, Massachusetts 02139, United States., Duca JS; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research , 100 Technology Square, Cambridge, Massachusetts 02139, United States. |
| Source: | Journal of chemical theory and computation [J Chem Theory Comput] 2015 Nov 10; Vol. 11 (11), pp. 5090-102. Date of Electronic Publication: 2015 Oct 21. |
| Publication Type: | Journal Article; Research Support, N.I.H., Extramural |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 26574307 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Estimation of Solvation Entropy and Enthalpy via Analysis of Water Oxygen-Hydrogen Correlations. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Velez-Vega+C%22">Velez-Vega C</searchLink>; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research , 100 Technology Square, Cambridge, Massachusetts 02139, United States.<br /><searchLink fieldCode="AU" term="%22McKay+DJ%22">McKay DJ</searchLink>; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research , 100 Technology Square, Cambridge, Massachusetts 02139, United States.<br /><searchLink fieldCode="AU" term="%22Kurtzman+T%22">Kurtzman T</searchLink>; Department of Chemistry, Lehman College, The City University of New York , 250 Bedford Park Boulevard West, Bronx, New York 10468, United States.; Ph.D. Program in Chemistry, The Graduate Center of the City University of New York , New York, New York 10016, United States.<br /><searchLink fieldCode="AU" term="%22Aravamuthan+V%22">Aravamuthan V</searchLink>; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research , 100 Technology Square, Cambridge, Massachusetts 02139, United States.<br /><searchLink fieldCode="AU" term="%22Pearlstein+RA%22">Pearlstein RA</searchLink>; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research , 100 Technology Square, Cambridge, Massachusetts 02139, United States.<br /><searchLink fieldCode="AU" term="%22Duca+JS%22">Duca JS</searchLink>; Computer-Aided Drug Discovery, Global Discovery Chemistry, Novartis Institutes for BioMedical Research , 100 Technology Square, Cambridge, Massachusetts 02139, United States. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22101232704%22">Journal of chemical theory and computation</searchLink> [J Chem Theory Comput] 2015 Nov 10; Vol. 11 (11), pp. 5090-102. <i>Date of Electronic Publication: </i>2015 Oct 21. – 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="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101232704 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1549-9626 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215499618%22">15499618 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Theory Comput <i>Subsets: </i>MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=26574307 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1021/acs.jctc.5b00439 Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: 5090 Titles: – TitleFull: Estimation of Solvation Entropy and Enthalpy via Analysis of Water Oxygen-Hydrogen Correlations. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Velez-Vega C – PersonEntity: Name: NameFull: McKay DJ – PersonEntity: Name: NameFull: Kurtzman T – PersonEntity: Name: NameFull: Aravamuthan V – PersonEntity: Name: NameFull: Pearlstein RA – PersonEntity: Name: NameFull: Duca JS IsPartOfRelationships: – BibEntity: Dates: – D: 10 M: 11 Text: 2015 Nov 10 Type: published Y: 2015 Identifiers: – Type: issn-electronic Value: 1549-9626 Numbering: – Type: volume Value: 11 – Type: issue Value: 11 Titles: – TitleFull: Journal of chemical theory and computation Type: main |
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