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. |
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| 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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| ISSN: | 1538-0254 |
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| DOI: | 10.1080/07391102.2025.2477778 |
