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Prediction and assessment of energetically-favored binding orientation of cannabidiol at hNav1.1 channel using all-atom molecular dynamics simulations.

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Title: Prediction and assessment of energetically-favored binding orientation of cannabidiol at hNav1.1 channel using all-atom molecular dynamics simulations.
Authors: Chaturvedi K; Department of Chemistry and Biochemistry, University of Mississippi, University, MS, USA., Bledsoe KS; Department of Chemistry and Biochemistry, University of Mississippi, University, MS, USA., Pandey P; National Center for Natural Products Research, Research Institute of Pharmaceutical Sciences, University of Mississippi, University, MS, USA., Osman AG; National Center for Natural Products Research, Research Institute of Pharmaceutical Sciences, University of Mississippi, University, MS, USA., Chittiboyina AG; National Center for Natural Products Research, Research Institute of Pharmaceutical Sciences, University of Mississippi, University, MS, USA., Doerksen RJ; Department of BioMolecular Sciences, University of Mississippi, University, MS, USA., Godfrey M; Department of Chemistry and Biochemistry, University of Mississippi, University, MS, USA.
Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2026 Jul; Vol. 44 (10), pp. 4700-4709. Date of Electronic Publication: 2025 Mar 19.
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: Prediction and assessment of energetically-favored binding orientation of cannabidiol at hNav1.1 channel using all-atom molecular dynamics simulations.
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  Data: <searchLink fieldCode="JN" term="%228404176%22">Journal of biomolecular structure & dynamics</searchLink> [J Biomol Struct Dyn] 2026 Jul; Vol. 44 (10), pp. 4700-4709. <i>Date of Electronic Publication: </i>2025 Mar 19.
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        Value: 10.1080/07391102.2025.2477778
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      – Code: eng
        Text: English
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      – TitleFull: Prediction and assessment of energetically-favored binding orientation of cannabidiol at hNav1.1 channel using all-atom molecular dynamics simulations.
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              Text: 2026 Jul
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              Y: 2026
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