Scientific Data (Mar 2023)

SARS-CoV2 billion-compound docking

  • David M. Rogers,
  • Rupesh Agarwal,
  • Josh V. Vermaas,
  • Micholas Dean Smith,
  • Rajitha T. Rajeshwar,
  • Connor Cooper,
  • Ada Sedova,
  • Swen Boehm,
  • Matthew Baker,
  • Jens Glaser,
  • Jeremy C. Smith

DOI
https://doi.org/10.1038/s41597-023-01984-9
Journal volume & issue
Vol. 10, no. 1
pp. 1 – 12

Abstract

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Measurement(s) equilibrium association constant (KA) Technology Type(s) molecular docking by scoring function Factor Type(s) Chemical formula and connectivity Sample Characteristic - Organism Severe acute respiratory syndrome-related coronavirus Sample Characteristic - Environment in-silico