Marching cubes: A high resolution 3D surface construction algorithm
SIGGRAPH '87 Proceedings of the 14th annual conference on Computer graphics and interactive techniques
Three-dimensional alpha shapes
VVS '92 Proceedings of the 1992 workshop on Volume visualization
Piecewise smooth surface reconstruction
SIGGRAPH '94 Proceedings of the 21st annual conference on Computer graphics and interactive techniques
Interpolating Subdivision for meshes with arbitrary topology
SIGGRAPH '96 Proceedings of the 23rd annual conference on Computer graphics and interactive techniques
Dynamic maintenance and visualization of molecular surfaces
Discrete Applied Mathematics - Special issue: Computational molecular biology series issue IV
Quality meshing of implicit solvation models of biomolecular structures
Computer Aided Geometric Design - Special issue: Applications of geometric modeling in the life sciences
Molecular surfaces on proteins via beta shapes
Computer-Aided Design
Quality mesh generation for molecular skin surfaces using restricted union of balls
Computational Geometry: Theory and Applications
Computer-Aided Design
Identification of Relevant Properties for Epitopes Detection Using a Regression Model
IEEE/ACM Transactions on Computational Biology and Bioinformatics (TCBB)
Interactive exploration of protein cavities
EuroVis'11 Proceedings of the 13th Eurographics / IEEE - VGTC conference on Visualization
Interactive extraction and tracking of biomolecular surface features
EuroVis '13 Proceedings of the 15th Eurographics Conference on Visualization
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Bioinformatics applied to macromolecules are now widely spread and in continuous expansion. In this context, representing external molecular surface such as the Van der Waals Surface or the Solvent Excluded Surface can be useful for several applications. We propose a fast and parameterizable algorithm giving good visual quality meshes representing molecular surfaces. It is obtained by isosurfacing a filtered electron density map. The density map is the result of the maximum of Gaussian functions placed around atom centers. This map is filtered by an ideal low-pass filter applied on the Fourier Transform of the density map. Applying the marching cubes algorithm on the inverse transform provides a mesh representation of the molecular surface.