The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations.
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| Title: | The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations. |
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| Authors: | Rizzi, Andrea1,2, andrea.rizzi@choderalab.org, Jensen, Travis3, Slochower, David R.4, Aldeghi, Matteo5, Gapsys, Vytautas5, Ntekoumes, Dimitris6, Bosisio, Stefano7, Papadourakis, Michail7, Henriksen, Niel M.4,8, de Groot, Bert L.5, Cournia, Zoe6, Dickson, Alex9,10, Michel, Julien7, Gilson, Michael K.4, Shirts, Michael R.3, Mobley, David L.11, dmobley@uci.edu, Chodera, John D.1, john.chodera@choderalab.org |
| Source: | Journal of Computer-Aided Molecular Design; May2020, Vol. 34 Issue 5, p601-633, 33p |
| Database: | Applied Science & Technology Source |
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| FullText | Links: – Type: pdflink Text: Availability: 1 |
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| Header | DbId: aci DbLabel: Applied Science & Technology Source An: 142632209 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Rizzi%2C+Andrea%22">Rizzi, Andrea</searchLink><relatesTo>1,2</relatesTo>, <i>andrea.rizzi@choderalab.org</i><br /><searchLink fieldCode="AU" term="%22Jensen%2C+Travis%22">Jensen, Travis</searchLink><relatesTo>3</relatesTo><br /><searchLink fieldCode="AU" term="%22Slochower%2C+David+R%2E%22">Slochower, David R.</searchLink><relatesTo>4</relatesTo><br /><searchLink fieldCode="AU" term="%22Aldeghi%2C+Matteo%22">Aldeghi, Matteo</searchLink><relatesTo>5</relatesTo><br /><searchLink fieldCode="AU" term="%22Gapsys%2C+Vytautas%22">Gapsys, Vytautas</searchLink><relatesTo>5</relatesTo><br /><searchLink fieldCode="AU" term="%22Ntekoumes%2C+Dimitris%22">Ntekoumes, Dimitris</searchLink><relatesTo>6</relatesTo><br /><searchLink fieldCode="AU" term="%22Bosisio%2C+Stefano%22">Bosisio, Stefano</searchLink><relatesTo>7</relatesTo><br /><searchLink fieldCode="AU" term="%22Papadourakis%2C+Michail%22">Papadourakis, Michail</searchLink><relatesTo>7</relatesTo><br /><searchLink fieldCode="AU" term="%22Henriksen%2C+Niel+M%2E%22">Henriksen, Niel M.</searchLink><relatesTo>4,8</relatesTo><br /><searchLink fieldCode="AU" term="%22de+Groot%2C+Bert+L%2E%22">de Groot, Bert L.</searchLink><relatesTo>5</relatesTo><br /><searchLink fieldCode="AU" term="%22Cournia%2C+Zoe%22">Cournia, Zoe</searchLink><relatesTo>6</relatesTo><br /><searchLink fieldCode="AU" term="%22Dickson%2C+Alex%22">Dickson, Alex</searchLink><relatesTo>9,10</relatesTo><br /><searchLink fieldCode="AU" term="%22Michel%2C+Julien%22">Michel, Julien</searchLink><relatesTo>7</relatesTo><br /><searchLink fieldCode="AU" term="%22Gilson%2C+Michael+K%2E%22">Gilson, Michael K.</searchLink><relatesTo>4</relatesTo><br /><searchLink fieldCode="AU" term="%22Shirts%2C+Michael+R%2E%22">Shirts, Michael R.</searchLink><relatesTo>3</relatesTo><br /><searchLink fieldCode="AU" term="%22Mobley%2C+David+L%2E%22">Mobley, David L.</searchLink><relatesTo>11</relatesTo>, <i>dmobley@uci.edu</i><br /><searchLink fieldCode="AU" term="%22Chodera%2C+John+D%2E%22">Chodera, John D.</searchLink><relatesTo>1</relatesTo>, <i>john.chodera@choderalab.org</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Computer-Aided+Molecular+Design%22">Journal of Computer-Aided Molecular Design</searchLink>; May2020, Vol. 34 Issue 5, p601-633, 33p |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=aci&AN=142632209 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1007/s10822-020-00290-5 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 33 StartPage: 601 Titles: – TitleFull: The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Rizzi, Andrea – PersonEntity: Name: NameFull: Jensen, Travis – PersonEntity: Name: NameFull: Slochower, David R. – PersonEntity: Name: NameFull: Aldeghi, Matteo – PersonEntity: Name: NameFull: Gapsys, Vytautas – PersonEntity: Name: NameFull: Ntekoumes, Dimitris – PersonEntity: Name: NameFull: Bosisio, Stefano – PersonEntity: Name: NameFull: Papadourakis, Michail – PersonEntity: Name: NameFull: Henriksen, Niel M. – PersonEntity: Name: NameFull: de Groot, Bert L. – PersonEntity: Name: NameFull: Cournia, Zoe – PersonEntity: Name: NameFull: Dickson, Alex – PersonEntity: Name: NameFull: Michel, Julien – PersonEntity: Name: NameFull: Gilson, Michael K. – PersonEntity: Name: NameFull: Shirts, Michael R. – PersonEntity: Name: NameFull: Mobley, David L. – PersonEntity: Name: NameFull: Chodera, John D. IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 05 Text: May2020 Type: published Y: 2020 Identifiers: – Type: issn-print Value: 0920654X Numbering: – Type: volume Value: 34 – Type: issue Value: 5 Titles: – TitleFull: Journal of Computer-Aided Molecular Design Type: main |
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