Show simple item record Czirják, Gábor 2022-06-24T07:36:34Z 2022-06-24T07:36:34Z 2015
dc.identifier 84942753012
dc.identifier.citation pagination=118-127; journalVolume=62; journalTitle=JOURNAL OF MOLECULAR GRAPHICS AND MODELLING;
dc.identifier.uri doi:10.1016/j.jmgm.2015.09.013
dc.description.abstract Grooves and pockets on the surface, channels through the protein, the chambers or cavities, and the tunnels connecting the internal points to each other or to the external fluid environment are fundamental determinants of a wide range of biological functions. PrinCCes (Protein internal Channel & Cavity estimation) is a computer program supporting the visualization of voids. It includes a novel algorithm for the decomposition of the entire void volume of the protein or protein complex to individual entities. The decomposition is based on continuity. An individual void is defined by uninterrupted extension in space: a spherical probe can freely move between any two internal locations of a continuous void. Continuous voids are detected irrespective of their topological complexity, they may contain any number of holes and bifurcations. The voids of a protein can be visualized one by one or in combinations as triangulated surfaces. The output is automatically exported to free VMD (Visual Molecular Dynamics) or Chimera software, allowing the 3D rotation of the surfaces and the production of publication quality images. PrinCCes with graphic user interface and command line versions are available for MS Windows and Linux. The source code and executable can be downloaded at any of the following links: © 2015 Elsevier Inc. All rights reserved.
dc.relation.ispartof urn:issn:1093-3263
dc.title PrinCCes: Continuity-based geometric decomposition and systematic visualization of the void repertoire of proteins
dc.type Journal Article 2018-06-14T09:22:11Z
dc.language.rfc3066 en
dc.identifier.mtmt 2992336
dc.identifier.wos 000367112000014
dc.contributor.department SE/AOK/I/Élettani Intézet
dc.contributor.institution Semmelweis Egyetem

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