Background: It is well known that most of the binding free energy of protein interaction is contributed by a few key hot spot residues. These residues are crucial for understandin...
Background: During the past decades, research and development in drug discovery have attracted much attention and efforts. However, only 324 drug targets are known for clinical dr...
Background: Structural properties of proteins such as secondary structure and solvent accessibility contribute to three-dimensional structure prediction, not only in the ab initio...
Gianluca Pollastri, Alberto J. M. Martin, Catherin...
Background: Activities of drug molecules can be predicted by QSAR (quantitative structure activity relationship) models, which overcomes the disadvantages of high cost and long cy...
Guo-Zheng Li, Hao-Hua Meng, Mary Qu Yang, Jack Y. ...
Discriminative training for structured outputs has found increasing applications in areas such as natural language processing, bioinformatics, information retrieval, and computer ...