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Mapping partial agonism of mitragynine at the µ-opioid receptor through molecular dynamics and Markov state modelling analysis.

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Title: Mapping partial agonism of mitragynine at the µ-opioid receptor through molecular dynamics and Markov state modelling analysis.
Authors: Bahari MNA; Collaborative Microelectronic Design Excellence Center (CEDEC), Universiti Sains Malaysia, No. 10, Persiaran Bukit Jambul, 11900, Bayan Lepas, Pulau Pinang, Malaysia., Azmi L; Faculty of Medicine and Health Sciences, Universiti Sains Islam Malaysia, 71800, Nilai, Negeri Sembilan, Malaysia., Fei LC; Institute of Systems Biology, Universiti Kebangsaan Malaysia (UKM), 43600, Bangi, Selangor, Malaysia., Syahir A; Nanobiotechnology Research Group, Department of Biochemistry, Faculty of Biotechnology and Biomolecular Sciences, Universiti Putra Malaysia (UPM), 43400, Serdang, Selangor, Malaysia., Perimal E; Curtin Medical School, Faculty of Health Sciences, Curtin University, Kent St, Bentley, WA, 6102, Australia., Manaf AA; Collaborative Microelectronic Design Excellence Center (CEDEC), Universiti Sains Malaysia, No. 10, Persiaran Bukit Jambul, 11900, Bayan Lepas, Pulau Pinang, Malaysia., Jamali MAM; Faculty of Science and Technology, Universiti Sains Islam Malaysia, 71800, Nilai, Negeri Sembilan, Malaysia. arifjamali@usim.edu.my.
Source: Scientific reports [Sci Rep] 2026 Mar 07; Vol. 16 (1). Date of Electronic Publication: 2026 Mar 07.
Publication Type: Journal Article
Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Bahari+MNA%22">Bahari MNA</searchLink>; Collaborative Microelectronic Design Excellence Center (CEDEC), Universiti Sains Malaysia, No. 10, Persiaran Bukit Jambul, 11900, Bayan Lepas, Pulau Pinang, Malaysia.<br /><searchLink fieldCode="AU" term="%22Azmi+L%22">Azmi L</searchLink>; Faculty of Medicine and Health Sciences, Universiti Sains Islam Malaysia, 71800, Nilai, Negeri Sembilan, Malaysia.<br /><searchLink fieldCode="AU" term="%22Fei+LC%22">Fei LC</searchLink>; Institute of Systems Biology, Universiti Kebangsaan Malaysia (UKM), 43600, Bangi, Selangor, Malaysia.<br /><searchLink fieldCode="AU" term="%22Syahir+A%22">Syahir A</searchLink>; Nanobiotechnology Research Group, Department of Biochemistry, Faculty of Biotechnology and Biomolecular Sciences, Universiti Putra Malaysia (UPM), 43400, Serdang, Selangor, Malaysia.<br /><searchLink fieldCode="AU" term="%22Perimal+E%22">Perimal E</searchLink>; Curtin Medical School, Faculty of Health Sciences, Curtin University, Kent St, Bentley, WA, 6102, Australia.<br /><searchLink fieldCode="AU" term="%22Manaf+AA%22">Manaf AA</searchLink>; Collaborative Microelectronic Design Excellence Center (CEDEC), Universiti Sains Malaysia, No. 10, Persiaran Bukit Jambul, 11900, Bayan Lepas, Pulau Pinang, Malaysia.<br /><searchLink fieldCode="AU" term="%22Jamali+MAM%22">Jamali MAM</searchLink>; Faculty of Science and Technology, Universiti Sains Islam Malaysia, 71800, Nilai, Negeri Sembilan, Malaysia. arifjamali@usim.edu.my.
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  Data: <searchLink fieldCode="JN" term="%22101563288%22">Scientific reports</searchLink> [Sci Rep] 2026 Mar 07; Vol. 16 (1). <i>Date of Electronic Publication: </i>2026 Mar 07.
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        Value: 10.1038/s41598-026-43251-y
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              Text: 2026 Mar 07
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