Rational redesigning the Acinetobacter haemolyticus lipase KV1 for improved polyethylene terephthalate degradation via molecular docking and dynamics simulations.
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| Title: | Rational redesigning the Acinetobacter haemolyticus lipase KV1 for improved polyethylene terephthalate degradation via molecular docking and dynamics simulations. |
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| Authors: | Khairul Anuar NFS; Department of Biosciences, Faculty of Science, Universiti Teknologi Malaysia, Johor Bahru, Malaysia.; Investigative and Forensic Science Research Group, Faculty of Science, Universiti Teknologi Malaysia, Johor Bahru, Malaysia., Abdul Wahab R; Investigative and Forensic Science Research Group, Faculty of Science, Universiti Teknologi Malaysia, Johor Bahru, Malaysia.; Department of Chemistry, Faculty of Science, Universiti Teknologi Malaysia, Johor Bahru, Malaysia., Huyop F; Department of Biosciences, Faculty of Science, Universiti Teknologi Malaysia, Johor Bahru, Malaysia., Normi YM; Enzyme and Microbial Technology Research Center, Faculty of Biotechnology and Biomolecular Sciences, Universiti Putra Malaysia, Serdang, Malaysia.; Department of Cell and Molecular Biology, Faculty of Biotechnology and Biomolecular Sciences, Universiti Putra Malaysia, Serdang, Malaysia., Susanti E; Biotechnology Program, Department of Applied Science, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, Malang, Indonesia., Jumbri K; Centre for Research in Ionic Liquid (CORIL), Institute of Sustainable Energy and Resources (ISER), Universiti Teknologi PETRONAS, Seri Iskandar, Malaysia.; Department of Fundamental and Applied Sciences, Universiti Teknologi PETRONAS, Seri Iskandar, Malaysia. |
| Source: | Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2026 May; Vol. 44 (8), pp. 4014-4044. Date of Electronic Publication: 2025 Oct 11. |
| Publication Type: | Journal Article; Research Support, Non-U.S. Gov't |
| 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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| ISSN: | 1538-0254 |
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| DOI: | 10.1080/07391102.2025.2570786 |
