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Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor.

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Title: Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor.
Authors: Qian Y; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States., Cabeza de Vaca I; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States., Vilseck JZ; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States., Cole DJ; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States., Tirado-Rives J; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States., Jorgensen WL; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States.
Source: The journal of physical chemistry. B [J Phys Chem B] 2019 Oct 17; Vol. 123 (41), pp. 8675-8685. Date of Electronic Publication: 2019 Oct 07.
Publication Type: Journal Article; Research Support, N.I.H., Extramural
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101157530 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5207 (Electronic) Linking ISSN: 15205207 NLM ISO Abbreviation: J Phys Chem B Subsets: MEDLINE
Database: MEDLINE Ultimate
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PubType: Academic Journal
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  Data: Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor.
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  Data: <searchLink fieldCode="AU" term="%22Qian+Y%22">Qian Y</searchLink>; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States.<br /><searchLink fieldCode="AU" term="%22Cabeza+de+Vaca+I%22">Cabeza de Vaca I</searchLink>; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States.<br /><searchLink fieldCode="AU" term="%22Vilseck+JZ%22">Vilseck JZ</searchLink>; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States.<br /><searchLink fieldCode="AU" term="%22Cole+DJ%22">Cole DJ</searchLink>; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States.<br /><searchLink fieldCode="AU" term="%22Tirado-Rives+J%22">Tirado-Rives J</searchLink>; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States.<br /><searchLink fieldCode="AU" term="%22Jorgensen+WL%22">Jorgensen WL</searchLink>; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States.
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  Data: <searchLink fieldCode="JN" term="%22101157530%22">The journal of physical chemistry. B</searchLink> [J Phys Chem B] 2019 Oct 17; Vol. 123 (41), pp. 8675-8685. <i>Date of Electronic Publication: </i>2019 Oct 07.
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  Data: Journal Article; Research Support, N.I.H., Extramural
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  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>101157530 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1520-5207 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215205207%22">15205207 </searchLink><i>NLM ISO Abbreviation: </i>J Phys Chem B <i>Subsets: </i>MEDLINE
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      – Type: doi
        Value: 10.1021/acs.jpcb.9b07588
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      – Code: eng
        Text: English
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      – TitleFull: Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor.
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            NameFull: Qian Y
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            NameFull: Cabeza de Vaca I
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            NameFull: Vilseck JZ
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            NameFull: Cole DJ
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            NameFull: Tirado-Rives J
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              Text: 2019 Oct 17
              Type: published
              Y: 2019
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              Value: 123
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              Value: 41
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            – TitleFull: The journal of physical chemistry. B
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