3D protein-protein docking using shape complementarity and fast alignment
In this paper, a novel approach for fast protein-protein docking based on geometric complementarity is introduced. Complementarity matching is achieved using a rotation-invariant 3D shape descriptor, the Shape Impact Descriptor (SID). Rotation invariance enables matching of equally-sized surface patches without the need for initial alignment. The candidate poses are computed using an intuitive alignment method, which is much faster than exhaustively searching the translational and rotational space of the ligand. The method yields competitive results when compared to other well-known geometry-based, rigid-docking approaches. © 2011 IEEE.
Showing items related by title, author, creator and subject.
Galanakis, P. A.; Spyroulias, G. A.; Rizos, A.; Samolis, P.; Krambovitis, E. (2005)Infection of target host cells by the human immunodeficiency virus-1 (HIV-1) is a multi-step process involving a series of conformational changes in the viral gp120 and gp41 proteins. Gp120 binding to the main cell receptor, ...
Identification of MAPK phosphorylation sites and their role in the localization and activity of hypoxia-inducible factor-1α Mylonis, I.; Chachami, G.; Samiotaki, M.; Panayotou, G.; Paraskeva, E.; Kalousi, A.; Georgatsou, E.; Bonanou, S.; Simos, G. (2006)Hypoxia-inducible factor 1 (HIF-1) controls the expression of most genes induced by hypoxic conditions. Regulation of expression and activity of its inducible subunit, HIF-1α, involves several post-translational modifications. ...
Van Roeyen, C. R. C.; Scurt, F. G.; Brandt, S.; Kuhl, V. A.; Martinkus, S.; Djudjaj, S.; Raffetseder, U.; Royer, H. D.; Stefanidis, I.; Dunn, S. E.; Dooley, S.; Weng, H.; Fischer, T.; Lindquist, J. A.; Mertens, P. R. (2013)Background: The Y-box protein-1 (YB-1) fulfills pleiotropic functions relating to gene transcription, mRNA processing, and translation. It remains elusive how YB-1 shuttling into the nuclear and cytoplasmic compartments ...