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Binding thermodynamics and interaction patterns of human purine nucleoside phosphorylase-inhibitor complexes from extensive free energy calculations.

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Title: Binding thermodynamics and interaction patterns of human purine nucleoside phosphorylase-inhibitor complexes from extensive free energy calculations.
Authors: Huai, Zhe1, Yang, Huaiyu2, Sun, Zhaoxi1, z.sun@pku.edu.cn
Source: Journal of Computer-Aided Molecular Design; May2021, Vol. 35 Issue 5, p643-656, 14p
Database: Applied Science & Technology Source
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Header DbId: aci
DbLabel: Applied Science & Technology Source
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PubTypeId: academicJournal
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  Data: Binding thermodynamics and interaction patterns of human purine nucleoside phosphorylase-inhibitor complexes from extensive free energy calculations.
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  Data: <searchLink fieldCode="AU" term="%22Huai%2C+Zhe%22">Huai, Zhe</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Yang%2C+Huaiyu%22">Yang, Huaiyu</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AU" term="%22Sun%2C+Zhaoxi%22">Sun, Zhaoxi</searchLink><relatesTo>1</relatesTo>, <i>z.sun@pku.edu.cn</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Computer-Aided+Molecular+Design%22">Journal of Computer-Aided Molecular Design</searchLink>; May2021, Vol. 35 Issue 5, p643-656, 14p
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=aci&AN=150364412
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1007/s10822-021-00382-w
    Languages:
      – Code: eng
        Text: English
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      Pagination:
        PageCount: 14
        StartPage: 643
    Titles:
      – TitleFull: Binding thermodynamics and interaction patterns of human purine nucleoside phosphorylase-inhibitor complexes from extensive free energy calculations.
        Type: main
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          Name:
            NameFull: Huai, Zhe
      – PersonEntity:
          Name:
            NameFull: Yang, Huaiyu
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          Name:
            NameFull: Sun, Zhaoxi
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          Dates:
            – D: 01
              M: 05
              Text: May2021
              Type: published
              Y: 2021
          Identifiers:
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              Value: 0920654X
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              Value: 35
            – Type: issue
              Value: 5
          Titles:
            – TitleFull: Journal of Computer-Aided Molecular Design
              Type: main
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