Scoring Method (Stage 1) - Kendall's Tau

Grand Challenge 2

Affinity Ranking (Stage 1) - Kendall's Tau

Submission ID Group/PI name Submitter Name Number of ligands Kendalls Tau Kendall's Tau Uncertainty Protocol Name from Protocol File List of Software Packages Used Method type
6xixa Merck Yuan Hu 36 0.43 0.09 MMGBSA ranking Prediction from 20 replicates of molecular dynamics simulations Glide, Gold, Amber-MMGBSA structure-based
too1u Southwest Research Institute Jonathan Bohmann 26 0.31 0.14 Rhodium HTS Rhodium HTS structure-based