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In-silico evaluation of Azadirachta indica-derived Daucosterol against key viral proteins of Ebolavirus using ML and MD simulations approach.

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Title: In-silico evaluation of Azadirachta indica-derived Daucosterol against key viral proteins of Ebolavirus using ML and MD simulations approach.
Authors: Joshi T; Medical and Biological Computing Laboratory, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.; Department of Biotechnology, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India., Priyamvada P; Medical and Biological Computing Laboratory, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.; Department of Bio-Sciences, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India., Mathpal S; Medical and Biological Computing Laboratory, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.; Department of Bio-Sciences, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India., Sriram S; Medical and Biological Computing Laboratory, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.; Department of Biotechnology, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India., Madaan S; Medical and Biological Computing Laboratory, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.; Department of Biotechnology, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India., Ramaiah S; Medical and Biological Computing Laboratory, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.; Department of Bio-Sciences, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India., Anbarasu A; Medical and Biological Computing Laboratory, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India. aanand@vit.ac.in.; Department of Biotechnology, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India. aanand@vit.ac.in.
Source: Journal of biological physics [J Biol Phys] 2025 May 26; Vol. 51 (1), pp. 17. Date of Electronic Publication: 2025 May 26.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: Kluwer Country of Publication: Netherlands NLM ID: 0417731 Publication Model: Electronic Cited Medium: Internet ISSN: 1573-0689 (Electronic) Linking ISSN: 00920606 NLM ISO Abbreviation: J Biol Phys Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: In-silico evaluation of Azadirachta indica-derived Daucosterol against key viral proteins of Ebolavirus using ML and MD simulations approach.
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  Data: <searchLink fieldCode="AU" term="%22Joshi+T%22">Joshi T</searchLink>; Medical and Biological Computing Laboratory, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.; Department of Biotechnology, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.<br /><searchLink fieldCode="AU" term="%22Priyamvada+P%22">Priyamvada P</searchLink>; Medical and Biological Computing Laboratory, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.; Department of Bio-Sciences, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.<br /><searchLink fieldCode="AU" term="%22Mathpal+S%22">Mathpal S</searchLink>; Medical and Biological Computing Laboratory, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.; Department of Bio-Sciences, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.<br /><searchLink fieldCode="AU" term="%22Sriram+S%22">Sriram S</searchLink>; Medical and Biological Computing Laboratory, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.; Department of Biotechnology, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.<br /><searchLink fieldCode="AU" term="%22Madaan+S%22">Madaan S</searchLink>; Medical and Biological Computing Laboratory, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.; Department of Biotechnology, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.<br /><searchLink fieldCode="AU" term="%22Ramaiah+S%22">Ramaiah S</searchLink>; Medical and Biological Computing Laboratory, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.; Department of Bio-Sciences, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India.<br /><searchLink fieldCode="AU" term="%22Anbarasu+A%22">Anbarasu A</searchLink>; Medical and Biological Computing Laboratory, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India. aanand@vit.ac.in.; Department of Biotechnology, School of Biosciences and Technology, Vellore Institute of Technology (VIT), 632014, Vellore, Tamil Nadu, India. aanand@vit.ac.in.
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  Data: <searchLink fieldCode="JN" term="%220417731%22">Journal of biological physics</searchLink> [J Biol Phys] 2025 May 26; Vol. 51 (1), pp. 17. <i>Date of Electronic Publication: </i>2025 May 26.
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              Text: 2025 May 26
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