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Quantum biochemical analysis of the binding interactions between a potential inhibitory drug and the Ebola viral glycoprotein.

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Title: Quantum biochemical analysis of the binding interactions between a potential inhibitory drug and the Ebola viral glycoprotein.
Authors: da Rocha JM; Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, RN, Brazil., Campos DMO; Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, RN, Brazil., Esmaile SC; Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, RN, Brazil., Menezes GL; Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, RN, Brazil., Bezerra KS; Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, RN, Brazil., da Silva RA; Core Collaboratives of BioSistemas, Special Unit of Exact Sciences, Federal University of Jataí, Jataí, GO, Brazil., Junior EDDS; Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, RN, Brazil., Tayyeb JZ; Department of Clinical Biochemistry, College of Medicine, University of Jeddah, Jeddah, Saudi Arabia., Akash S; Department of Pharmacy, Faculty of Allied Health Sciences, Daffodil International University, Birulia, Ashulia, Dhaka, Bangladesh., Fulco UL; Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, RN, Brazil., Alqahtani T; Department of Pharmacology, College of Pharmacy, King Khalid University, Abha, Saudi Arabia., Oliveira JIN; Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, RN, Brazil.
Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2025 Jun; Vol. 43 (9), pp. 4753-4769. Date of Electronic Publication: 2024 Jan 23.
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: Quantum biochemical analysis of the binding interactions between a potential inhibitory drug and the Ebola viral glycoprotein.
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  Data: <searchLink fieldCode="AU" term="%22da+Rocha+JM%22">da Rocha JM</searchLink>; Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, RN, Brazil.<br /><searchLink fieldCode="AU" term="%22Campos+DMO%22">Campos DMO</searchLink>; Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, RN, Brazil.<br /><searchLink fieldCode="AU" term="%22Esmaile+SC%22">Esmaile SC</searchLink>; Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, RN, Brazil.<br /><searchLink fieldCode="AU" term="%22Menezes+GL%22">Menezes GL</searchLink>; Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, RN, Brazil.<br /><searchLink fieldCode="AU" term="%22Bezerra+KS%22">Bezerra KS</searchLink>; Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, RN, Brazil.<br /><searchLink fieldCode="AU" term="%22da+Silva+RA%22">da Silva RA</searchLink>; Core Collaboratives of BioSistemas, Special Unit of Exact Sciences, Federal University of Jataí, Jataí, GO, Brazil.<br /><searchLink fieldCode="AU" term="%22Junior+EDDS%22">Junior EDDS</searchLink>; Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, RN, Brazil.<br /><searchLink fieldCode="AU" term="%22Tayyeb+JZ%22">Tayyeb JZ</searchLink>; Department of Clinical Biochemistry, College of Medicine, University of Jeddah, Jeddah, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Akash+S%22">Akash S</searchLink>; Department of Pharmacy, Faculty of Allied Health Sciences, Daffodil International University, Birulia, Ashulia, Dhaka, Bangladesh.<br /><searchLink fieldCode="AU" term="%22Fulco+UL%22">Fulco UL</searchLink>; Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, RN, Brazil.<br /><searchLink fieldCode="AU" term="%22Alqahtani+T%22">Alqahtani T</searchLink>; Department of Pharmacology, College of Pharmacy, King Khalid University, Abha, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Oliveira+JIN%22">Oliveira JIN</searchLink>; Department of Biophysics and Pharmacology, Bioscience Center, Federal University of Rio Grande do Norte, Natal, RN, Brazil.
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  Data: <searchLink fieldCode="JN" term="%228404176%22">Journal of biomolecular structure & dynamics</searchLink> [J Biomol Struct Dyn] 2025 Jun; Vol. 43 (9), pp. 4753-4769. <i>Date of Electronic Publication: </i>2024 Jan 23.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Taylor+%26+Francis%22">Taylor & Francis </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>8404176 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1538-0254 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2207391102%22">07391102 </searchLink><i>NLM ISO Abbreviation: </i>J Biomol Struct Dyn <i>Subsets: </i>MEDLINE
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              Text: 2025 Jun
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