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Graphics processing unit-based triangulations of Blinn molecular surfaces

Dias, S. ; Gomes, A.

Concurrency and Computation: Practice and Experience Vol. 23, Nº 17, pp. 2280 - 2291, December, 2011.

ISSN (print):
ISSN (online): 1532-0626

Journal Impact Factor: 0,997 (in 2014)

Digital Object Identifier: 10.1002/cpe.1783

Abstract
Computing the surface of a molecule (e.g., a protein) plays an important role in the analysis of its geometric structure as needed in the study of interactions between proteins, protein folding, protein docking, and
so forth. There are a number of algorithms for the computation of molecular surfaces and their triangulations, but only a few take advantage of graphics processing unit computing. This paper describes a graphics
processing unit-based marching cubes algorithm to triangulate molecular surfaces. In the end of the paper,
a performance analysis of three implementations (i.e., serial CPU, CUDA, and OpenCL) of the marching
cubes-based triangulation algorithm takes place as a way to realize beforehand how molecular surfaces can
be rendered in real-time in the future