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Knowledge-based approaches to drug discovery for rare diseases.
Alves VM, Korn D, Pervitsky V, Thieme A, Capuzzi SJ, Baker N, Chirkova R, Ekins S, Muratov EN, Hickey A, Tropsha A. Alves VM, et al. Among authors: korn d. Drug Discov Today. 2022 Feb;27(2):490-502. doi: 10.1016/j.drudis.2021.10.014. Epub 2021 Oct 27. Drug Discov Today. 2022. PMID: 34718207 Free PMC article. Review.
Computational Models Identify Several FDA Approved or Experimental Drugs as Putative Agents Against SARS-CoV-2.
Bobrowski T, Alves VM, Melo-Filho CC, Korn D, Auerbach S, Schmitt C, Muratov EN, Tropsha A. Bobrowski T, et al. Among authors: korn d. ChemRxiv [Preprint]. 2020 Apr 22. doi: 10.26434/chemrxiv.12153594. ChemRxiv. 2020. Update in: Mol Inform. 2021 Jan;40(1):e2000113. doi: 10.1002/minf.202000113 PMID: 32511287 Free PMC article. Updated. Preprint.
SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules.
Alves VM, Capuzzi SJ, Braga RC, Korn D, Hochuli JE, Bowler KH, Yasgar A, Rai G, Simeonov A, Muratov EN, Zakharov AV, Tropsha A. Alves VM, et al. Among authors: korn d. J Chem Inf Model. 2020 Aug 24;60(8):4056-4063. doi: 10.1021/acs.jcim.0c00415. Epub 2020 Aug 2. J Chem Inf Model. 2020. PMID: 32678597
Learning from history: do not flatten the curve of antiviral research!
Bobrowski T, Melo-Filho CC, Korn D, Alves VM, Popov KI, Auerbach S, Schmitt C, Moorman NJ, Muratov EN, Tropsha A. Bobrowski T, et al. Among authors: korn d. Drug Discov Today. 2020 Sep;25(9):1604-1613. doi: 10.1016/j.drudis.2020.07.008. Epub 2020 Jul 15. Drug Discov Today. 2020. PMID: 32679173 Free PMC article. Review.
COVID-KOP: integrating emerging COVID-19 data with the ROBOKOP database.
Korn D, Bobrowski T, Li M, Kebede Y, Wang P, Owen P, Vaidya G, Muratov E, Chirkova R, Bizon C, Tropsha A. Korn D, et al. Bioinformatics. 2021 May 1;37(4):586-587. doi: 10.1093/bioinformatics/btaa718. Bioinformatics. 2021. PMID: 33175089 Free PMC article.
COVID-19 Knowledge Extractor (COKE): A Tool and a Web Portal to Extract Drug - Target Protein Associations from the CORD-19 Corpus of Scientific Publications on COVID-19.
Korn D, Pervitsky V, Bobrowski T, Alves VM, Schmitt C, Bizon C, Baker N, Chirkova R, Cherkasov A, Muratov E, Tropsha A. Korn D, et al. ChemRxiv [Preprint]. 2020 Nov 26. doi: 10.26434/chemrxiv.13289222. ChemRxiv. 2020. Update in: J Chem Inf Model. 2021 Dec 27;61(12):5734-5741. doi: 10.1021/acs.jcim.1c01285 PMID: 33269341 Free PMC article. Updated. Preprint.
236 results