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Exploration of interaction scoring criteria in the CANDO platform.

Zackary FallsWilliam MangioneJames SchulerRam Samudrala
Published in: BMC research notes (2019)
We have investigated and enhanced the interaction scoring criteria in the bioinformatic docking protocol in the newest version of our platform (v1.5), with the best performing interaction scoring criterion yielding increased benchmarking accuracies from 11.7% in v1 to 12.8% in v1.5 at the top10 cutoff (the most stringent one) and correspondingly from 24.9 to 31.2% at the top100 cutoff.
Keyphrases
  • high throughput
  • molecular dynamics
  • molecular dynamics simulations
  • protein protein
  • atomic force microscopy