Structure Based Virtual Screening for Drug Discovery: a Problem Centric Review
Structure based virtual screening (SBVS) has been widely applied in early stage drug discovery. From a problem centric perspective, we reviewed the recent advances and applications in SBVS with a special focus on docking based virtual screening. We emphasized the researchers' practical efforts in real projects by understanding the ligand target binding interactions as a premise. We also highlighted the recent progress in developing target biased scoring functions by optimizing current generic scoring functions toward certain target classes, as well as in developing novel ones by means of machine learning techniques.
The AAPS Journal