Zobrazeno 1 - 10 of 49 pro vyhledávání: '"Puhl AC"'
1
Akademický článek
Machine learning-aided search for ligands of P2Y 6 and other P2Y receptors.
Autor: Puhl AC; Collaborations Pharmaceuticals, Inc, 840 Main Campus Drive, Lab 3510, Raleigh, NC, 27606, USA., Lewicki SA; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD, 20892, USA., Gao ZG; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD, 20892, USA., Pramanik A; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD, 20892, USA., Makarov V; Research Center of Biotechnology RAS, Leninsky Prospekt 33-2, 119071, Moscow, Russian Federation., Ekins S; Collaborations Pharmaceuticals, Inc, 840 Main Campus Drive, Lab 3510, Raleigh, NC, 27606, USA. sean@collaborationspharma.com., Jacobson KA; Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD, 20892, USA. kennethj@niddk.nih.gov.
Publikováno v: Purinergic signalling [Purinergic Signal] 2024 Dec; Vol. 20 (6), pp. 617-627. Date of Electronic Publication: 2024 Mar 25.
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2
Akademický článek
In silico ADME/tox comes of age: twenty years later.
Autor: Ekins S; Collaborations Pharmaceuticals, Inc., Raleigh, North Carolina, USA., Lane TR; Collaborations Pharmaceuticals, Inc., Raleigh, North Carolina, USA., Urbina F; Collaborations Pharmaceuticals, Inc., Raleigh, North Carolina, USA., Puhl AC; Collaborations Pharmaceuticals, Inc., Raleigh, North Carolina, USA.
Publikováno v: Xenobiotica; the fate of foreign compounds in biological systems [Xenobiotica] 2024 Jul; Vol. 54 (7), pp. 352-358. Date of Electronic Publication: 2023 Aug 08.
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3
Akademický článek
The Goldilocks paradigm: comparing classical machine learning, large language models, and few-shot learning for drug discovery applications.
Autor: Snyder SH; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, 27606, USA., Vignaux PA; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, 27606, USA., Ozalp MK; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, 27606, USA., Gerlach J; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, 27606, USA., Puhl AC; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, 27606, USA., Lane TR; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, 27606, USA., Corbett J; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, 27606, USA., Urbina F; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, 27606, USA. fabio@collaborationspharma.com., Ekins S; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, 27606, USA. sean@collaborationspharma.com.
Publikováno v: Communications chemistry [Commun Chem] 2024 Jun 12; Vol. 7 (1), pp. 134. Date of Electronic Publication: 2024 Jun 12.
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4
Akademický článek
Computational drug repositioning identifies niclosamide and tribromsalan as inhibitors of Mycobacterium tuberculosis and Mycobacterium abscessus.
Autor: Yang JJ; School of Informatics, Computing and Engineering, Indiana University, Bloomington, IN, USA; Data2Discovery, Inc., Bloomington, IN, USA; Department of Internal Medicine Translational Informatics Division, University of New Mexico, Albuquerque, NM, USA., Goff A; Department of Global Health and Infection, Brighton & Sussex Medical School, University of Sussex, UK., Wild DJ; School of Informatics, Computing and Engineering, Indiana University, Bloomington, IN, USA; Data2Discovery, Inc., Bloomington, IN, USA., Ding Y; School of Informatics, Computing and Engineering, Indiana University, Bloomington, IN, USA; Data2Discovery, Inc., Bloomington, IN, USA; School of Information, Dell Medical School, University of Texas, Austin, TX, USA., Annis A; Department of Microbiology and Immunology, School of Medicine, University of North Carolina at Chapel Hill, NC, 27599, USA., Kerber R; Data2Discovery, Inc., Bloomington, IN, USA., Foote B; Data2Discovery, Inc., Bloomington, IN, USA., Passi A; Department of Pediatrics, UC San Diego, San Diego, CA, USA., Duerksen JL; Data2Discovery, Inc., Bloomington, IN, USA., London S; Data2Discovery, Inc., Bloomington, IN, USA., Puhl AC; Collaborations Pharmaceuticals Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, 27606, USA., Lane TR; Collaborations Pharmaceuticals Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, 27606, USA., Braunstein M; Department of Microbiology and Immunology, School of Medicine, University of North Carolina at Chapel Hill, NC, 27599, USA., Waddell SJ; Department of Global Health and Infection, Brighton & Sussex Medical School, University of Sussex, UK., Ekins S; Collaborations Pharmaceuticals Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, 27606, USA. Electronic address: sean@collaborationspharma.com.
Publikováno v: Tuberculosis (Edinburgh, Scotland) [Tuberculosis (Edinb)] 2024 May; Vol. 146, pp. 102500. Date of Electronic Publication: 2024 Feb 27.
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5
Akademický článek
Sequential Contrastive and Deep Learning Models to Identify Selective Butyrylcholinesterase Inhibitors.
Autor: Ozalp MK; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States., Vignaux PA; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States., Puhl AC; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States., Lane TR; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States., Urbina F; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States., Ekins S; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States.
Publikováno v: Journal of chemical information and modeling [J Chem Inf Model] 2024 Apr 22; Vol. 64 (8), pp. 3161-3172. Date of Electronic Publication: 2024 Mar 26.
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6
Akademický článek
Identification of New Modulators and Inhibitors of Palmitoyl-Protein Thioesterase 1 for CLN1 Batten Disease and Cancer.
Autor: Puhl AC; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States., Raman R; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States., Havener TM; UNC Catalyst for Rare Diseases, Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States., Minerali E; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States., Hickey AJ; UNC Catalyst for Rare Diseases, Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.; RTI International, Research Triangle Park, North Carolina 27709, United States., Ekins S; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States.
Publikováno v: ACS omega [ACS Omega] 2024 Feb 28; Vol. 9 (10), pp. 11870-11882. Date of Electronic Publication: 2024 Feb 28 (Print Publication: 2024).
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7
Akademický článek
1-Sulfonyl-3-amino-1 H -1,2,4-triazoles as Yellow Fever Virus Inhibitors: Synthesis and Structure-Activity Relationship.
Autor: Kazakova E; Federal Research Centre 'Fundamentals of Biotechnology' of the Russian Academy of Sciences (Research Centre of Biotechnology RAS), 33-2 Leninsky Prospect, 119071 Moscow, Russia., Lane TR; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States., Jones T; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States., Puhl AC; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States., Riabova O; Federal Research Centre 'Fundamentals of Biotechnology' of the Russian Academy of Sciences (Research Centre of Biotechnology RAS), 33-2 Leninsky Prospect, 119071 Moscow, Russia., Makarov V; Federal Research Centre 'Fundamentals of Biotechnology' of the Russian Academy of Sciences (Research Centre of Biotechnology RAS), 33-2 Leninsky Prospect, 119071 Moscow, Russia., Ekins S; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States.
Publikováno v: ACS omega [ACS Omega] 2023 Nov 01; Vol. 8 (45), pp. 42951-42965. Date of Electronic Publication: 2023 Nov 01 (Print Publication: 2023).
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8
Akademický článek
Synthesis and Evaluation of 9-Aminoacridines with SARS-CoV-2 Antiviral Activity.
Autor: Jones T; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States., Monakhova N; Federal Research Centre 'Fundamentals of Biotechnology' of the Russian Academy of Sciences (Research Centre of Biotechnology RAS), 33-2 Leninsky Prospect, Moscow 119071, Russia., Guivel-Benhassine F; Institut Pasteur, 28 rue du Dr Roux, Paris Cedex 15 75724, France., Lepioshkin A; Federal Research Centre 'Fundamentals of Biotechnology' of the Russian Academy of Sciences (Research Centre of Biotechnology RAS), 33-2 Leninsky Prospect, Moscow 119071, Russia., Bruel T; Institut Pasteur, 28 rue du Dr Roux, Paris Cedex 15 75724, France., Lane TR; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States., Schwartz O; Institut Pasteur, 28 rue du Dr Roux, Paris Cedex 15 75724, France., Puhl AC; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States., Makarov V; Federal Research Centre 'Fundamentals of Biotechnology' of the Russian Academy of Sciences (Research Centre of Biotechnology RAS), 33-2 Leninsky Prospect, Moscow 119071, Russia., Ekins S; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States.
Publikováno v: ACS omega [ACS Omega] 2023 Oct 19; Vol. 8 (43), pp. 40817-40822. Date of Electronic Publication: 2023 Oct 19 (Print Publication: 2023).
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9
Akademický článek
Learning from COVID-19: How drug hunters can prepare for the next pandemic.
Autor: Puhl AC; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, USA. Electronic address: ana@collaborationspharma.com., Lane TR; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, USA., Ekins S; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, NC, USA. Electronic address: sean@collaborationspharma.com.
Publikováno v: Drug discovery today [Drug Discov Today] 2023 Oct; Vol. 28 (10), pp. 103723. Date of Electronic Publication: 2023 Jul 22.
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10
Akademický článek
Discovery of PL pro and M pro Inhibitors for SARS-CoV-2.
Autor: Puhl AC; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States., Godoy AS; Sao Carlos Institute of Physics, University of Sao Paulo, Av. Joao Dagnone, 1100-Jardim Santa Angelina, Sao Carlos 13563-120, Brazil., Noske GD; Sao Carlos Institute of Physics, University of Sao Paulo, Av. Joao Dagnone, 1100-Jardim Santa Angelina, Sao Carlos 13563-120, Brazil., Nakamura AM; Sao Carlos Institute of Physics, University of Sao Paulo, Av. Joao Dagnone, 1100-Jardim Santa Angelina, Sao Carlos 13563-120, Brazil., Gawriljuk VO; Sao Carlos Institute of Physics, University of Sao Paulo, Av. Joao Dagnone, 1100-Jardim Santa Angelina, Sao Carlos 13563-120, Brazil., Fernandes RS; Sao Carlos Institute of Physics, University of Sao Paulo, Av. Joao Dagnone, 1100-Jardim Santa Angelina, Sao Carlos 13563-120, Brazil., Oliva G; Sao Carlos Institute of Physics, University of Sao Paulo, Av. Joao Dagnone, 1100-Jardim Santa Angelina, Sao Carlos 13563-120, Brazil., Ekins S; Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States.
Publikováno v: ACS omega [ACS Omega] 2023 Jun 14; Vol. 8 (25), pp. 22603-22612. Date of Electronic Publication: 2023 Jun 14 (Print Publication: 2023).
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