@LindorffLarsen @klausenhauser @DdelAlamo More similar to classification we tried. The activity-cliffs are glaring. For example see PDBs 3UYP vs 3UZQ, with 10uM vs 100pM affinities
311 followers
311 followers
@DdelAlamo Consistent w/ our observations for related task of classifying high vs low affinity from Ab-Ag structures, using many featurization approaches (Rosetta, dMASIF, etc). AUC of ~0.70, but can reach ~0.90 when missing even a single source of data le
217 followers
Learned features of antibody-antigen binding affinity https://t.co/FT1bFpTHOm
2,518 followers
New Research: Learned features of antibody-antigen binding affinity https://t.co/Ezdx5nrUZp #MolBioSci