Does ScoreL allow for protein flexibility?
During one docking or screening procedure protein that is used for binding site is considered to be rigid, it does not change during docking. In practice, many proteins are rather flexible. To consider protein flexibility in ScoreL, use several conformations of one protein, i.e. possible variants of protein changing during binding with ligand. Execute docking of one ligand to all protein conformations and integrate docking results using tab “integrate results”. For further information, please refer to the ScoreL documentation.
