: An efficient method for calculating the free energy of solvation of a (macro)molecule embedded in a continuum solvent is presented. It is based on the fully analytical evaluation...
We describe an automated scene modeling system that consists of two components operating in an interleaved fashion: an incremental modeler that builds solid models from range imag...
Parallel coordinate plots (PCPs) are commonly used in information visualization to provide insight into multi-variate data. These plots help to spot correlations between variables....
Abstract. The rational approach to pharmaceutical drug design begins with an investigation of the relationship between chemical structure and biological activity. Information gaine...
—In this paper, we present two methods for accurate gradient estimation from scalar field data sampled on regular lattices. The first method is based on the multidimensional Tayl...