A Multi-Pronged Approach Targeting SARS-CoV-2 Proteins Using Ultra-Large Virtual Screening.

Autor: Gorgulla C; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Harvard University, Boston, USA.; Department of Physics, Faculty of Arts and Sciences, Harvard University, Cambridge, USA.; Department of Cancer Biology, Dana-Farber Cancer Institute, Boston, USA., Padmanabha Das KM; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Harvard University, Boston, USA.; Department of Cancer Biology, Dana-Farber Cancer Institute, Boston, USA., Leigh KE; Max-Planck-Institut für Biophysik, Frankfurt, Germany., Cespugli M; Innophore GmbH, Graz, Austria., Fischer PD; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Harvard University, Boston, USA.; Department of Cancer Biology, Dana-Farber Cancer Institute, Boston, USA.; Department of Pharmacy, Pharmaceutical and Medicinal Chemistry, Saarland University, Saarbrücken, Germany., Wang ZF; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Harvard University, Boston, USA., Tesseyre G; Google, Mountain View, CA, USA., Pandita S; Google, Mountain View, CA, USA., Shnapir A; Google, Mountain View, CA, USA., Calderaio A; VirtualFlow Organization, https://virtual-flow.org/., Gechev M; Google, Mountain View, CA, USA., Rose A; Mol Consortium, https://molstar.org., Lewis N; Google, Mountain View, CA, USA., Hutcheson C; Google, Mountain View, CA, USA., Yaffe E; Google, Mountain View, CA, USA., Luxenburg R; Google, Mountain View, CA, USA., Herce HD; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Harvard University, Boston, USA.; Department of Cancer Biology, Dana-Farber Cancer Institute, Boston, USA., Durmaz V; Innophore GmbH, Graz, Austria., Halazonetis TD; Department of Molecular Biology, University of Geneva, Geneva, Switzerland., Fackeldey K; Zuse Institute Berlin (ZIB), Berlin, Germany.; Institute of Mathematics, Technical University Berlin, Berlin, Germany., Patten JJ; Department of Microbiology, Boston University Medical School, Boston University, Boston, USA., Chuprina A; Enamine, Kyiv, Ukraine., Dziuba I; UkrOrgSyntez Ltd., Kyiv, Ukraine., Plekhova A; Chemspace, Kyiv, Ukraine., Moroz Y; Chemspace, Kyiv, Ukraine.; Taras Shevchenko National University of Kyiv, Ukraine., Radchenko D; Enamine, Kyiv, Ukraine.; Taras Shevchenko National University of Kyiv, Ukraine., Tarkhanova O; Chemspace, Kyiv, Ukraine., Yavnyuk I; Enamine, Kyiv, Ukraine., Gruber C; Innophore GmbH, Graz, Austria.; Institute of Molecular Biosciences, University of Graz, Austria., Yust R; Google, Mountain View, CA, USA., Payne D; Google, Mountain View, CA, USA., Näär AM; Department of Nutritional Sciences & Toxicology, University of California Berkeley, USA., Namchuk MN; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Harvard University, Boston, USA., Davey RA; Department of Microbiology, Boston University Medical School, Boston University, Boston, USA., Wagner G; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Harvard University, Boston, USA., Kinney J; Google, Mountain View, CA, USA., Arthanari H; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Harvard University, Boston, USA.; Department of Cancer Biology, Dana-Farber Cancer Institute, Boston, USA.

Publikováno v: ChemRxiv : the preprint server for chemistry [ChemRxiv] 2020 Jul 24. Date of Electronic Publication: 2020 Jul 24.