NURBS based B-rep models for macromolecules and their properties
SMA '97 Proceedings of the fourth ACM symposium on Solid modeling and applications
Computing homology groups of simplicial complexes in R3
Journal of the ACM (JACM)
Dynamic maintenance and visualization of molecular surfaces
Discrete Applied Mathematics - Special issue: Computational molecular biology series issue IV
Power diagrams and intersection detection
ICCSA'11 Proceedings of the 2011 international conference on Computational science and its applications - Volume Part III
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The shape of a protein is important for its functions. This includes the location and size of identifiable regions in its complement space. We formally define pockets as regions in the complement with limited accessibility from the outside. Pockets can be efficiently constructed by an algorithm based on alpha complexes. The algorithm is implemented and applied to proteins with known three-dimensional conformations.