We report results for the in-silico screening of a database of 10000 flexible compounds against various crystal structures of the thymidine kinase receptor complexed with 10 know...
We have developed a new tool for virtual database screening. This tool, referred to as the Generic Evolutionary Method for molecular DOCKing (GEMDOCK), combines an evolutionary app...
We present an approach to discretizing multivariate continuous data while learning the structure of a graphical model. We derive the joint scoring function from the principle of p...
We developed Gr?mlin 2.0, a new multiple network aligner with (1) a novel scoring function that can use arbitrary features of a multiple network alignment, such as protein deletion...
Jason Flannick, Antal F. Novak, Chuong B. Do, Bala...