We have previously developed a method [1] for the inverse design of small ligands. This method can be used to design novel compounds with optimized properties (such as drugs) and ...
Shawn Martin, W. Michael Brown, Jean-Loup Faulon, ...
Abstract. We seek to distinguish Strategic design decisions (e.g., to adopt a programming paradigm, architectural style, CBSE standard or application framework) from tactical desig...
Biomolecular simulations produce more output data than can be managed effectively by traditional computing systems. Researchers need distributed systems that allow the pooling of...
Justin M. Wozniak, Paul Brenner, Douglas Thain, Aa...
When an image is viewed at varying resolutions, it is known to create discrete perceptual jumps or transitions amid the continuous intensity changes. In this paper, we study a per...
Multivariate time series (MTS) data sets are common in various multimedia, medical and financial application domains. These applications perform several data-analysis operations ...