A free-energy perturbation method based on Monte Carlo simulations using quantum mechanical calculations (QM/MC/FEP method): application to highly solvent-dependent reactions.
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| Title: | A free-energy perturbation method based on Monte Carlo simulations using quantum mechanical calculations (QM/MC/FEP method): application to highly solvent-dependent reactions. |
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| Authors: | Hori K; Division of Material Science, Graduate School of Science and Engineering, Yamaguchi University, Ube, Yamaguchi, Japan. kenji@yamaguchi-u.ac.jp, Yamaguchi T, Uezu K, Sumimoto M |
| Source: | Journal of computational chemistry [J Comput Chem] 2011 Apr 15; Vol. 32 (5), pp. 778-86. Date of Electronic Publication: 2010 Nov 04. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Wiley Country of Publication: United States NLM ID: 9878362 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1096-987X (Electronic) Linking ISSN: 01928651 NLM ISO Abbreviation: J Comput Chem Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 21341291 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: A free-energy perturbation method based on Monte Carlo simulations using quantum mechanical calculations (QM/MC/FEP method): application to highly solvent-dependent reactions. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Hori+K%22">Hori K</searchLink>; Division of Material Science, Graduate School of Science and Engineering, Yamaguchi University, Ube, Yamaguchi, Japan. kenji@yamaguchi-u.ac.jp<br /><searchLink fieldCode="AU" term="%22Yamaguchi+T%22">Yamaguchi T</searchLink><br /><searchLink fieldCode="AU" term="%22Uezu+K%22">Uezu K</searchLink><br /><searchLink fieldCode="AU" term="%22Sumimoto+M%22">Sumimoto M</searchLink> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%229878362%22">Journal of computational chemistry</searchLink> [J Comput Chem] 2011 Apr 15; Vol. 32 (5), pp. 778-86. <i>Date of Electronic Publication: </i>2010 Nov 04. – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Wiley%22">Wiley </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>9878362 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1096-987X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2201928651%22">01928651 </searchLink><i>NLM ISO Abbreviation: </i>J Comput Chem <i>Subsets: </i>MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=21341291 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1002/jcc.21653 Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: 778 Titles: – TitleFull: A free-energy perturbation method based on Monte Carlo simulations using quantum mechanical calculations (QM/MC/FEP method): application to highly solvent-dependent reactions. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Hori K – PersonEntity: Name: NameFull: Yamaguchi T – PersonEntity: Name: NameFull: Uezu K – PersonEntity: Name: NameFull: Sumimoto M IsPartOfRelationships: – BibEntity: Dates: – D: 15 M: 04 Text: 2011 Apr 15 Type: published Y: 2011 Identifiers: – Type: issn-electronic Value: 1096-987X Numbering: – Type: volume Value: 32 – Type: issue Value: 5 Titles: – TitleFull: Journal of computational chemistry Type: main |
| ResultId | 1 |
