This paper describes a comprehensive approach to construct quality meshes for implicit solvation models of biomolecular structures starting from atomic resolution data in the Prot...
Abstract. The function of a protein is dependent on whether and how it can interact with various ligands. Therefore, an accurate prediction of protein-ligand interactions is paramo...
We present a new surface representation scheme based on a manifold structure and displacement functions. Given a geometric model represented as a point cloud, we construct a domain...
In this paper we establish a topological similarity between two apparently different shape constructors from a set of points. Shape constructors are geometric structures that tran...
Abstract: This article presents a novel concept, the minimal molecular surface (MMS), for the theoretical modeling of biomolecules. The MMS can be viewed as a result of the surface...