@article{4025, abstract = {Questions of chemical reactivity can often be cast as questions of molecular geometry. Common geometric models for proteins and other molecules are the space-filling diagram, the solvent accessible surface and the molecular surface. In this paper we present a new approach to triangulating the surface of a molecule under the three models, which is fast, robust, and results in topologically correct triangulations. Our computations are based on a simplicial complex dual to the molecule models. All proposed algorithms are parallelizable.}, author = {Akkiraju, Nataraj and Edelsbrunner, Herbert}, issn = {0166-218X}, journal = {Discrete Applied Mathematics}, number = {1-3}, pages = {5 -- 22}, publisher = {Elsevier}, title = {{Triangulating the surface of a molecule}}, doi = {10.1016/S0166-218X(96)00054-6}, volume = {71}, year = {1996}, }