Abstract. The rational approach to pharmaceutical drug design begins with an investigation of the relationship between chemical structure and biological activity. Information gaine...
A method is presented that uses b-strand interactions to predict the parallel right-handed b-helix super-secondary structural motif in protein sequences. A program called BetaWrap...
Phil Bradley, Lenore Cowen, Matthew Menke, Jonatha...
Abstract—Docking simulates molecular interactions. Protein - protein docking, owing to the sizes of molecules, is a very challenging problem. As the number of degrees of freedom ...
The technique of Delaunay refinement has been recognized as a versatile tool to generate Delaunay meshes of a variety of geometries. Despite its usefulness, it suffers from one la...
Point-sampled geometry has gained significant interest due to their simplicity. The lack of connectivity touted as a plus, however, creates difficulties in many operations like ge...