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Computational design of carbohydrate binding modules-fused PETase like enzyme for enhanced polycaprolactone (PCL) degradation: structural insights, molecular dynamics, and QM/MM simulations.

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Title: Computational design of carbohydrate binding modules-fused PETase like enzyme for enhanced polycaprolactone (PCL) degradation: structural insights, molecular dynamics, and QM/MM simulations.
Authors: Ahmed N; Research Centre for Genetic Engineering, Research Organization of Life Science and Environment, National Research and Innovation Agency-Republic of Indonesia (BRIN), KST Soekarno Cibinong, Bogor, Indonesia., Abdjan MI; Department of Chemistry, Faculty of Mathematics and Natural Science, Universitas Negeri Surabaya, Surabaya, Indonesia., Aminah NS; Department of Chemistry, Faculty of Science and Technology, Universitas Airlangga, Komplek Kampus C UNAIR, Surabaya, Indonesia., Helianti I; Research Centre for Genetic Engineering, Research Organization of Life Science and Environment, National Research and Innovation Agency-Republic of Indonesia (BRIN), KST Soekarno Cibinong, Bogor, Indonesia.
Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2026 May; Vol. 44 (8), pp. 4148-4175. Date of Electronic Publication: 2026 Jan 28.
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: <searchLink fieldCode="AU" term="%22Ahmed+N%22">Ahmed N</searchLink>; Research Centre for Genetic Engineering, Research Organization of Life Science and Environment, National Research and Innovation Agency-Republic of Indonesia (BRIN), KST Soekarno Cibinong, Bogor, Indonesia.<br /><searchLink fieldCode="AU" term="%22Abdjan+MI%22">Abdjan MI</searchLink>; Department of Chemistry, Faculty of Mathematics and Natural Science, Universitas Negeri Surabaya, Surabaya, Indonesia.<br /><searchLink fieldCode="AU" term="%22Aminah+NS%22">Aminah NS</searchLink>; Department of Chemistry, Faculty of Science and Technology, Universitas Airlangga, Komplek Kampus C UNAIR, Surabaya, Indonesia.<br /><searchLink fieldCode="AU" term="%22Helianti+I%22">Helianti I</searchLink>; Research Centre for Genetic Engineering, Research Organization of Life Science and Environment, National Research and Innovation Agency-Republic of Indonesia (BRIN), KST Soekarno Cibinong, Bogor, Indonesia.
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  Data: <searchLink fieldCode="JN" term="%228404176%22">Journal of biomolecular structure & dynamics</searchLink> [J Biomol Struct Dyn] 2026 May; Vol. 44 (8), pp. 4148-4175. <i>Date of Electronic Publication: </i>2026 Jan 28.
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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: 10.1080/07391102.2026.2619892
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      – Code: eng
        Text: English
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      – TitleFull: Computational design of carbohydrate binding modules-fused PETase like enzyme for enhanced polycaprolactone (PCL) degradation: structural insights, molecular dynamics, and QM/MM simulations.
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            NameFull: Ahmed N
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            NameFull: Abdjan MI
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              Text: 2026 May
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              Y: 2026
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              Value: 44
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