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, ...
Background: G-protein-coupled receptors (GPCRs) play a key role in diverse physiological processes and are the targets of almost two-thirds of the marketed drugs. The 3 D structur...
Estimating geometric structure from uncalibrated images accurately enough for high quality rendering is difficult. We present a method where only coarse geometric structure is trac...
This paper describes new methods for maintaining a point-location data structure for a dynamically changing monotone subdivision S. The main approach is based on the maintenance of...
Abstract. One of the main goals of Discovery Science is the development and analysis of methods for automatic knowledge discovery in the natural sciences. A central area of natural...