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. |
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| 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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