Molecular geometric properties, such as volume, exposed surface area, and occurrence of internal cavities, are important inputs to many applications in molecular modeling. In this ...
Mike Phillips, Iliyan Georgiev, Anna Katharina Deh...
Commonly used boundary-based solid and surface modeling methods in traditional computer aided design are not capable of constructing configurations with large numbers of particles ...
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 ...
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 study a particular type of surface segmentation problem motivated by molecular biology applications. In particular, two input surfaces are given, coarsely modeli...