The ability to retrieve molecules based on structural similarity has use in many applications, from disease diagnosis and treatment to drug discovery and design. In this paper, we...
Keith Marsolo, Srinivasan Parthasarathy, Kotagiri ...
Over the last decade, Message Passing Interface (MPI) has become a very successful parallel programming environment for distributed memory architectures such as clusters. However, ...
Abstract: In this paper we present our ideas to apply constraint satisfaction on business processes. We propose a multi-level constraint satisfaction approach to handle t levels of...
Background: Small molecules are of increasing interest for bioinformatics in areas such as metabolomics and drug discovery. The recent release of large open access chemistry datab...
Thomas Kuhn, Egon L. Willighagen, Achim Zielesny, ...
Background: One of the most challenging aspects of protein-protein docking is the inclusion of flexibility into the docking procedure. We developed a postfilter where the grid-rep...