In this paper we introduce a novel edge-based, implicit approach for single object segmentation in 3D images. From a couple of curves, traced by the user on the object to be segme...
Ascertaining the similarity amongst molecules is a fundamental problem in biology and drug discovery. Since similar molecules tend to have similar biological properties, the notio...
Abstract. Many interesting problems in computer vision can be formulated as a minimization problem for an energy functional. If this functional is given as an integral of a scalar-...
The accessible surface of a macromolecule is a significant determinant of its action. The interaction between biomolecules or protein-ligand is dependent on their surfaces rather ...
Energy minimization is an important step in molecular modeling, with applications in molecular docking and in mapping binding sites. Minimization involves repeated evaluation of v...