Molecular dynamics investigation of single nucleotide polymorphism-driven variations in GSTP1 phosphorylation and substrate interaction.

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Title: Molecular dynamics investigation of single nucleotide polymorphism-driven variations in GSTP1 phosphorylation and substrate interaction.
Authors: Shahwar DE; Biochemistry Section, Institute of Chemical Sciences, University of Peshawar, Peshawar, KP, Pakistan., Usama; School of Materials Science and Engineering, Anhui University, Hefei, China., Khan Z; Biochemistry Section, Institute of Chemical Sciences, University of Peshawar, Peshawar, KP, Pakistan., Ahmad N; Department of Chemical and Materials Engineering, College of Engineering, Northern Border University, Arar, Saudi Arabia., Ali A; Warren Family Research Center for Drug Discovery and Development, Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN, USA., Imran M; Biochemistry Section, Institute of Chemical Sciences, University of Peshawar, Peshawar, KP, Pakistan.
Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2026 Jun; Vol. 44 (9), pp. 4654-4665. Date of Electronic Publication: 2026 Jan 22.
Publication Type: Journal Article
Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Molecular dynamics investigation of single nucleotide polymorphism-driven variations in GSTP1 phosphorylation and substrate interaction.
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  Data: <searchLink fieldCode="AU" term="%22Shahwar+DE%22">Shahwar DE</searchLink>; Biochemistry Section, Institute of Chemical Sciences, University of Peshawar, Peshawar, KP, Pakistan.<br /><searchLink fieldCode="AU" term="%22Usama%22">Usama</searchLink>; School of Materials Science and Engineering, Anhui University, Hefei, China.<br /><searchLink fieldCode="AU" term="%22Khan+Z%22">Khan Z</searchLink>; Biochemistry Section, Institute of Chemical Sciences, University of Peshawar, Peshawar, KP, Pakistan.<br /><searchLink fieldCode="AU" term="%22Ahmad+N%22">Ahmad N</searchLink>; Department of Chemical and Materials Engineering, College of Engineering, Northern Border University, Arar, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Ali+A%22">Ali A</searchLink>; Warren Family Research Center for Drug Discovery and Development, Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN, USA.<br /><searchLink fieldCode="AU" term="%22Imran+M%22">Imran M</searchLink>; Biochemistry Section, Institute of Chemical Sciences, University of Peshawar, Peshawar, KP, Pakistan.
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  Data: <searchLink fieldCode="JN" term="%228404176%22">Journal of biomolecular structure & dynamics</searchLink> [J Biomol Struct Dyn] 2026 Jun; Vol. 44 (9), pp. 4654-4665. <i>Date of Electronic Publication: </i>2026 Jan 22.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Taylor+%26+Francis%22">Taylor & Francis </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>8404176 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1538-0254 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2207391102%22">07391102 </searchLink><i>NLM ISO Abbreviation: </i>J Biomol Struct Dyn <i>Subsets: </i>MEDLINE
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        Value: 10.1080/07391102.2026.2619869
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      – Code: eng
        Text: English
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        StartPage: 4654
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      – TitleFull: Molecular dynamics investigation of single nucleotide polymorphism-driven variations in GSTP1 phosphorylation and substrate interaction.
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            – D: 01
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              Text: 2026 Jun
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              Y: 2026
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              Value: 44
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              Value: 9
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            – TitleFull: Journal of biomolecular structure & dynamics
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