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Discrete Dynamics of Warhead Modulation on Covalent Inhibition of Oxyr: A QM/MM Study.

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Title: Discrete Dynamics of Warhead Modulation on Covalent Inhibition of Oxyr: A QM/MM Study.
Authors: Zaman N; Computational Biology Lab, National Center for Bioinformatics, Quaid-i-Azam University, Islamabad 45320, Pakistan., Azam SS; Computational Biology Lab, National Center for Bioinformatics, Quaid-i-Azam University, Islamabad 45320, Pakistan.
Source: The journal of physical chemistry. B [J Phys Chem B] 2023 Jul 13; Vol. 127 (27), pp. 5993-6005. Date of Electronic Publication: 2023 Jun 28.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
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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DbLabel: MEDLINE Ultimate
An: 37377002
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
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  Data: Discrete Dynamics of Warhead Modulation on Covalent Inhibition of Oxyr: A QM/MM Study.
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  Data: <searchLink fieldCode="AU" term="%22Zaman+N%22">Zaman N</searchLink>; Computational Biology Lab, National Center for Bioinformatics, Quaid-i-Azam University, Islamabad 45320, Pakistan.<br /><searchLink fieldCode="AU" term="%22Azam+SS%22">Azam SS</searchLink>; Computational Biology Lab, National Center for Bioinformatics, Quaid-i-Azam University, Islamabad 45320, Pakistan.
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  Data: <searchLink fieldCode="JN" term="%22101157530%22">The journal of physical chemistry. B</searchLink> [J Phys Chem B] 2023 Jul 13; Vol. 127 (27), pp. 5993-6005. <i>Date of Electronic Publication: </i>2023 Jun 28.
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  Data: Journal Article; Research Support, Non-U.S. Gov't
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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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RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1021/acs.jpcb.2c07376
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      – Code: eng
        Text: English
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        StartPage: 5993
    Titles:
      – TitleFull: Discrete Dynamics of Warhead Modulation on Covalent Inhibition of Oxyr: A QM/MM Study.
        Type: main
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      – PersonEntity:
          Name:
            NameFull: Zaman N
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          Name:
            NameFull: Azam SS
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            – D: 13
              M: 07
              Text: 2023 Jul 13
              Type: published
              Y: 2023
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              Value: 1520-5207
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              Value: 127
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              Value: 27
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            – TitleFull: The journal of physical chemistry. B
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