Quantum Pharmacophore-Based Virtual Screening Enables Prospective Discovery of Chemotype-Diverse Dengue NS5 Inhibitors.
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| Title: | Quantum Pharmacophore-Based Virtual Screening Enables Prospective Discovery of Chemotype-Diverse Dengue NS5 Inhibitors. |
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| Authors: | Martinov MN; Gradient Biomodeling, Park City, Utah84098, United States.; FAR Biotech, Madison, Wisconsin53719, United States., Van Den Bergh A; Johnson & Johnson Research and Development, Beerse , Antwerp2340, Belgium., Jacoby E; Johnson & Johnson Research and Development, Beerse , Antwerp2340, Belgium., Kirov I; Gradient Bulgaria, Sofia1164, Bulgaria., Nashev LG; Gradient Bulgaria, Sofia1164, Bulgaria., Herasymenko O; Structural Genomics Consortium, University of Toronto, Toronto, OntarioM5G 1L7, Canada., Arrowsmith CH; Structural Genomics Consortium, University of Toronto, Toronto, OntarioM5G 1L7, Canada., Slater JW; Johnson & Johnson Research and Development, Spring House, Pennsylvania19477, United States., Grell T; Johnson & Johnson Research and Development, Spring House, Pennsylvania19477, United States., Maksimchuk K; Johnson & Johnson Research and Development, Spring House, Pennsylvania19477, United States., Hack MD; Johnson & Johnson Research and Development, San Diego, California92121, United States., Wu Z; Johnson & Johnson Research and Development, Spring House, Pennsylvania19477, United States., Ohadi D; Johnson & Johnson Research and Development, Spring House, Pennsylvania19477, United States., Borrenberghs D; Johnson & Johnson Research and Development, Beerse , Antwerp2340, Belgium., Van Loock M; Johnson & Johnson Research and Development, Beerse , Antwerp2340, Belgium., Mulakala C; Johnson & Johnson Research and Development, South San Francisco, California94080, United States., Goethals O; Johnson & Johnson Research and Development, Beerse , Antwerp2340, Belgium. |
| Source: | Journal of chemical information and modeling [J Chem Inf Model] 2026 Jul 27; Vol. 66 (14), pp. 8304-8317. Date of Electronic Publication: 2026 Jul 16. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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