PIPER results of dimerized normal HER2/ERBB2 structure (PDB ID 2A91) showing unstable dimer values (using Schrödinger Release 2023-4: BioLuminate, Schrödinger, LLC, New York, NY, 2023)
Title | PIPER pose energy | PIPER pose score | PIPER model number | PIPER cluster size |
---|---|---|---|---|
POSE1 | –93.038 | –74.6 | 272 | 260 |
POSE2 | –133.7 | –71.382 | 21 | 228 |
POSE3 | –55.632 | –106.158 | 975 | 145 |
POSE4 | –55.871 | –10.35 | 961 | 68 |
POSE5 | –55.752 | –12.125 | 966 | 63 |
POSE6 | –62.301 | –54.411 | 792 | 59 |
POSE7 | –62.404 | –27.389 | 790 | 52 |
POSE8 | –60.198 | –66.592 | 847 | 42 |
POSE9 | –59.333 | –32.963 | 870 | 40 |
POSE10 | –70.686 | –28.635 | 603 | 37 |
POSE11 | –59.265 | 0 | 871 | 3 |
POSE12 | –56.614 | 0 | 934 | 3 |