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Informatics colloquium 5. 4. Geometry Analysis of Protein Structures - Ten Years AfterInformatics Colloquium 5. 4. 2016, 14:00 lecture hall D2
assoc. prof. Ing. Jiří Sochor, CSc., FI MU
Geometry Analysis of Protein Structures - Ten Years After
Abstract: 10 years after introducing the original method Caver 1.0 several tools and methods for geometry analysis of protein structures emerged. These methods gained significant attention in biochemists world and are currently used for de novo design of enzymes. We will survey the Voronoi approaches originating from analysis of atom volumes (1974) that evolved in methods for exploration of protein clefts, pores and cavities. We will describe the development of CAVER 3.0 and compare it with another solutions. We will give several examples of methods aiming at tunnels and pores in protein geometry.