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In silico design and discovery of pan coronavirus small molecule anti-virals targeting 3CLPRO protease.

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Title: In silico design and discovery of pan coronavirus small molecule anti-virals targeting 3CLPRO protease.
Authors: Manjhi SK; Department of Biological Sciences, BITS Pilani K K Birla Goa campus, Zuarinagar, Goa, India., Achuthan Kattuparambil A; Department of Biological Sciences, BITS Pilani K K Birla Goa campus, Zuarinagar, Goa, India., Mishra B; Department of Biological Sciences, BITS Pilani K K Birla Goa campus, Zuarinagar, Goa, India., Ballaney P; Department of Biological Sciences, BITS Pilani K K Birla Goa campus, Zuarinagar, Goa, India., Tiwari P; Department of Biological Sciences, BITS Pilani K K Birla Goa campus, Zuarinagar, Goa, India., Aduri R; Department of Biological Sciences, BITS Pilani K K Birla Goa campus, Zuarinagar, Goa, India.
Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2026 Feb; Vol. 44 (2), pp. 683-700. Date of Electronic Publication: 2024 Dec 13.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
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: In silico design and discovery of pan coronavirus small molecule anti-virals targeting 3CL<superscript>PRO</superscript> protease.
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  Data: <searchLink fieldCode="AU" term="%22Manjhi+SK%22">Manjhi SK</searchLink>; Department of Biological Sciences, BITS Pilani K K Birla Goa campus, Zuarinagar, Goa, India.<br /><searchLink fieldCode="AU" term="%22Achuthan+Kattuparambil+A%22">Achuthan Kattuparambil A</searchLink>; Department of Biological Sciences, BITS Pilani K K Birla Goa campus, Zuarinagar, Goa, India.<br /><searchLink fieldCode="AU" term="%22Mishra+B%22">Mishra B</searchLink>; Department of Biological Sciences, BITS Pilani K K Birla Goa campus, Zuarinagar, Goa, India.<br /><searchLink fieldCode="AU" term="%22Ballaney+P%22">Ballaney P</searchLink>; Department of Biological Sciences, BITS Pilani K K Birla Goa campus, Zuarinagar, Goa, India.<br /><searchLink fieldCode="AU" term="%22Tiwari+P%22">Tiwari P</searchLink>; Department of Biological Sciences, BITS Pilani K K Birla Goa campus, Zuarinagar, Goa, India.<br /><searchLink fieldCode="AU" term="%22Aduri+R%22">Aduri R</searchLink>; Department of Biological Sciences, BITS Pilani K K Birla Goa campus, Zuarinagar, Goa, India.
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  Data: <searchLink fieldCode="JN" term="%228404176%22">Journal of biomolecular structure & dynamics</searchLink> [J Biomol Struct Dyn] 2026 Feb; Vol. 44 (2), pp. 683-700. <i>Date of Electronic Publication: </i>2024 Dec 13.
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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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        Value: 10.1080/07391102.2024.2439581
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      – Code: eng
        Text: English
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      – TitleFull: In silico design and discovery of pan coronavirus small molecule anti-virals targeting 3CLPRO protease.
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            NameFull: Achuthan Kattuparambil A
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              Text: 2026 Feb
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