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A Structure-Based Computational Pipeline for Broad-Spectrum Antiviral Discovery.

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Title: A Structure-Based Computational Pipeline for Broad-Spectrum Antiviral Discovery.
Authors: Castellanos MA; Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York, NY, USA., Payne AM; Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York, NY, USA.; Tri-Institutional Ph.D. Program in Chemical Biology, Weill Cornell Medical College of Cornell University, New York, NY, USA., Scheen J; Open Molecular Software Foundation, Davis, CA, USA., MacDermott-Opeskin H; Open Molecular Software Foundation, Davis, CA, USA., Pulido I; Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York, NY, USA., Balcomb BH; Diamond Light Source, Harwell Science and Innovation Campus, Fermi Ave, Didcot OX11 0DE, UK.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, Oxfordshire, UK., Griffen EJ; ASAP Discovery Consortium and MedChemica Consultancy Ltd, Macclesfield, Cheshire, SK11 6DU, UK., Fearon D; Diamond Light Source, Harwell Science and Innovation Campus, Fermi Ave, Didcot OX11 0DE, UK.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, Oxfordshire, UK., Barr H; Weizmann Institute of Science, Rehovot 7610001, Israel., Lahav N; Weizmann Institute of Science, Rehovot 7610001, Israel., Cousins D; ASAP Discovery Consortium and MedChemica Consultancy Ltd, Macclesfield, Cheshire, SK11 6DU, UK., Stacey J; ASAP Discovery Consortium and MedChemica Consultancy Ltd, Macclesfield, Cheshire, SK11 6DU, UK., Robinson R; Thames Pharma Partners., Lefker B; Thames Pharma Partners., Chodera JD; Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York, NY, USA.
Source: BioRxiv : the preprint server for biology [bioRxiv] 2025 Jul 30. Date of Electronic Publication: 2025 Jul 30.
Publication Type: Journal Article; Preprint
Journal Info: Country of Publication: United States NLM ID: 101680187 Publication Model: Electronic Cited Medium: Internet ISSN: 2692-8205 (Electronic) Linking ISSN: 26928205 NLM ISO Abbreviation: bioRxiv Subsets: PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Castellanos+MA%22">Castellanos MA</searchLink>; Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York, NY, USA.<br /><searchLink fieldCode="AU" term="%22Payne+AM%22">Payne AM</searchLink>; Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York, NY, USA.; Tri-Institutional Ph.D. Program in Chemical Biology, Weill Cornell Medical College of Cornell University, New York, NY, USA.<br /><searchLink fieldCode="AU" term="%22Scheen+J%22">Scheen J</searchLink>; Open Molecular Software Foundation, Davis, CA, USA.<br /><searchLink fieldCode="AU" term="%22MacDermott-Opeskin+H%22">MacDermott-Opeskin H</searchLink>; Open Molecular Software Foundation, Davis, CA, USA.<br /><searchLink fieldCode="AU" term="%22Pulido+I%22">Pulido I</searchLink>; Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York, NY, USA.<br /><searchLink fieldCode="AU" term="%22Balcomb+BH%22">Balcomb BH</searchLink>; Diamond Light Source, Harwell Science and Innovation Campus, Fermi Ave, Didcot OX11 0DE, UK.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, Oxfordshire, UK.<br /><searchLink fieldCode="AU" term="%22Griffen+EJ%22">Griffen EJ</searchLink>; ASAP Discovery Consortium and MedChemica Consultancy Ltd, Macclesfield, Cheshire, SK11 6DU, UK.<br /><searchLink fieldCode="AU" term="%22Fearon+D%22">Fearon D</searchLink>; Diamond Light Source, Harwell Science and Innovation Campus, Fermi Ave, Didcot OX11 0DE, UK.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, Oxfordshire, UK.<br /><searchLink fieldCode="AU" term="%22Barr+H%22">Barr H</searchLink>; Weizmann Institute of Science, Rehovot 7610001, Israel.<br /><searchLink fieldCode="AU" term="%22Lahav+N%22">Lahav N</searchLink>; Weizmann Institute of Science, Rehovot 7610001, Israel.<br /><searchLink fieldCode="AU" term="%22Cousins+D%22">Cousins D</searchLink>; ASAP Discovery Consortium and MedChemica Consultancy Ltd, Macclesfield, Cheshire, SK11 6DU, UK.<br /><searchLink fieldCode="AU" term="%22Stacey+J%22">Stacey J</searchLink>; ASAP Discovery Consortium and MedChemica Consultancy Ltd, Macclesfield, Cheshire, SK11 6DU, UK.<br /><searchLink fieldCode="AU" term="%22Robinson+R%22">Robinson R</searchLink>; Thames Pharma Partners.<br /><searchLink fieldCode="AU" term="%22Lefker+B%22">Lefker B</searchLink>; Thames Pharma Partners.<br /><searchLink fieldCode="AU" term="%22Chodera+JD%22">Chodera JD</searchLink>; Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York, NY, USA.
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