Background: Molecular-docking-based virtual screening is an important tool in drug discovery that is used to significantly reduce the number of possible chemical compounds to be i...
Shuxing Zhang, Kamal Kumar, Xiaohui Jiang, Anders ...
Background: Most proteins function by interacting with other molecules. Their interaction interfaces are highly conserved throughout evolution to avoid undesirable interactions th...
Sungsam Gong, Changbum Park, Hansol Choi, Junsu Ko...
Background: Biomedical and chemical databases are large and rapidly growing in size. Graphs naturally model such kinds of data. To fully exploit the wealth of information in these...
Background: A large volume of data and information about genes and gene products has been stored in various molecular biology databases. A major challenge for knowledge discovery ...
Abstract. Recent times have seen an explosive growth in the availability of various kinds of data. It has resulted in an unprecedented opportunity to develop automated data-driven ...