Computation and Visualization of Surface of Proteins and their Channels
|Year of publication
|Article in Proceedings
|The IADIS Computer Graphics, Visualization, Computer Vision and Image Processing (CGVCVIP) 2011
|MU Faculty or unit
|surface; protein; channel; visualization
|In this paper we are introducing our approach to the computation of molecular surface. This challenge occupies the researchers for many years because of its complexity and many solutions have been proposed. Our algorithm comes from the generally known reduced surface algorithm but in our case we innovate this approach using various simplifications and improvements, especially when dealing with various problems. This is done with respect to the demands to utilize our algorithm not only for the computation of molecular surfaces but also for the surface detection of so called channels inside proteins. Our approach is namely used as a part of the complex CAVER Viewer application designed specially for the localization, visualization and further exploration of channels in protein molecules.