@conference {17944, title = {Defining, Computing, and Visualizing Molecular Interfaces}, booktitle = {Proceedings of the 6th conference on Visualization {\textquoteright}95}, series = {VIS {\textquoteright}95}, year = {1995}, month = {1995///}, pages = {36{\textendash} - 36{\textendash}}, publisher = {IEEE Computer Society}, organization = {IEEE Computer Society}, address = {Washington, DC, USA}, abstract = {A parallel, analytic approach for defining and computing the inter- and intra-molecular interfaces in three dimensions is described. The "molecular interface surfaces" are derived from approximations to the power-diagrams over the participating molecular units. For a given molecular interface our approach can generate a family of interface surfaces parametrized by alpha and beta, where alpha is the radius of the solvent molecule (also known as the probe-radius) and beta is the interface radius that defines the size of the molecular interface. Molecular interface surfaces provide biochemists with a powerful tool to study surface complementarity and to efficiently characterize the interactions during a protein-substrate docking. The complexity of our algorithm for molecular environments is O(n k \log^2{k}), where n is the number of atoms in the participating molecular units and k is the average number of neighboring atoms -- a constant, given alpha and beta.}, keywords = {Computational Biochemistry Algorithms Molecular Graphics, Connolly Surfaces, Molecular Interfaces, Molecular Surfaces, Protein-Protein Recognition}, isbn = {0-8186-7187-4}, url = {http://dl.acm.org/citation.cfm?id=832271.833834}, author = {Varshney, Amitabh and Brooks Jr,Frederick P. and Manocha,Dinesh and Wright,William V. and Richardson,David C.} }