Prediction of potential toxicity and side effect protein targets of a small molecule by a ligand-protein inverse docking approach

• Main Authors: Chen, Y.Z., Ung, C.Y.
• Other Authors: COMPUTATIONAL SCIENCE
• Format: Article
• Published: 2014
• Subjects: ADME/TOX; Adverse drug reactions; Aspirin; Computer-aided drug design; Docking; Drug safety evaluation; Drug target; Gentamicin; Ibuprofen; Indinavir; Neomycin; Penicillin; Protein receptors; Scoring function; Tamoxifen; Toxicity prediction; Vitamin C
• Online Access: http://scholarbank.nus.edu.sg/handle/10635/101444
• Institution: National University of Singapore

10.1016/S1093-3263(01)00109-7