: We decompose molecular surfaces which are in the form of Van der Waals model into a structure adapted for mesh-free modeling. Our focus is on the generation of spherical patches ...
Quality surface meshes for molecular models are desirable in the studies of protein shapes and functionalities. However, there is still no robust software that is capable to gener...
We present an efficient algorithm to mesh the macromolecules surface model represented by the skin surface defined by Edelsbrunner. Our algorithm overcomes several challenges resi...
Docking is the process by which two or several molecules form a complex. Docking involves the geometry of the molecular surfaces, as well as chemical and energetical consideration...
Molecular surface computations are often necessary in order to perform synthetic drug design. A critical step in this process is the computation and update of an exact boundary re...
Chandrajit L. Bajaj, Valerio Pascucci, Robert J. H...