SHREC 2018 – Protein Shape Retrieval

Proteins are macromolecules central to biological processes that display a dynamic and complex surface. They display multiple conformations differing by local (residue side-chain) or global (loop or domain) structural changes which can impact drastically their global and local shape. Since the structure of proteins is linked to their function and the disruption of their interactions can lead to a disease state, it is of major importance to characterize their shape. In the present work, we report the performance in enrichment of six shape-retrieval methods (3D-FusionNet, GSGW, HAPT, DEM, SIWKS and WKS) on a 2 267 protein structures dataset generated for this protein shape retrieval track of SHREC’18.

[1]  A. Ben Hamza,et al.  Global spectral graph wavelet signature for surface analysis of carpal bones , 2017, Physics in medicine and biology.

[2]  Steven E Brenner,et al.  SCOPe: Manual Curation and Artifact Removal in the Structural Classification of Proteins - extended Database. , 2017, Journal of molecular biology.

[3]  A. Ben Hamza,et al.  Spectral shape classification: A deep learning approach , 2017, J. Vis. Commun. Image Represent..

[4]  A. Ben Hamza,et al.  A spectral graph wavelet approach for nonrigid 3D shape retrieval , 2016, Pattern Recognit. Lett..

[5]  Petros Daras,et al.  Similarity Search of Flexible 3D Molecules Combining Local and Global Shape Descriptors , 2016, IEEE/ACM Transactions on Computational Biology and Bioinformatics.

[6]  Sebastian Scherer,et al.  VoxNet: A 3D Convolutional Neural Network for real-time object recognition , 2015, 2015 IEEE/RSJ International Conference on Intelligent Robots and Systems (IROS).

[7]  Steven E. Brenner,et al.  SCOPe: Structural Classification of Proteins—extended, integrating SCOP and ASTRAL data and classification of new structures , 2013, Nucleic Acids Res..

[8]  A. Ben Hamza,et al.  A multiresolution descriptor for deformable 3D shape retrieval , 2013, The Visual Computer.

[9]  Andrea Giachetti,et al.  Radial Symmetry Detection and Shape Characterization with the Multiscale Area Projection Transform , 2012, Comput. Graph. Forum.

[10]  Daniel Cremers,et al.  The wave kernel signature: A quantum mechanical approach to shape analysis , 2011, 2011 IEEE International Conference on Computer Vision Workshops (ICCV Workshops).

[11]  M. Shirakawa,et al.  The solution structure of the K63-Ub2:tUIMs complex , 2011 .

[12]  Leonidas J. Guibas,et al.  Shape google: Geometric words and expressions for invariant shape retrieval , 2011, TOGS.

[13]  Karthik Ramani,et al.  Using diffusion distances for flexible molecular shape comparison , 2010, BMC Bioinformatics.

[14]  Yang Zhang,et al.  Generating Triangulated Macromolecular Surfaces by Euclidean Distance Transform , 2009, PloS one.

[15]  Jens Meiler,et al.  A Correspondence Between Solution-State Dynamics of an Individual Protein and the Sequence and Conformational Diversity of its Family , 2009, PLoS Comput. Biol..

[16]  Margaret A. Johnson,et al.  Nuclear Magnetic Resonance Structure of the N-Terminal Domain of Nonstructural Protein 3 from the Severe Acute Respiratory Syndrome Coronavirus , 2007, Journal of Virology.

[17]  Thomas A. Funkhouser,et al.  The Princeton Shape Benchmark , 2004, Proceedings Shape Modeling Applications, 2004..

[18]  Alla Sheffer,et al.  Fundamentals of spherical parameterization for 3D meshes , 2003, ACM Trans. Graph..

[19]  Greg Turk,et al.  Simplification and Repair of Polygonal Models Using Volumetric Techniques , 2003, IEEE Trans. Vis. Comput. Graph..

[20]  Mark Gerstein,et al.  MolMovDB: analysis and visualization of conformational change and structural flexibility , 2003, Nucleic Acids Res..

[21]  D. Inzé,et al.  Solution structure of the single-domain prolyl cis/trans isomerase PIN1At from Arabidopsis thaliana. , 2002, Journal of molecular biology.

[22]  K. Wüthrich The way to NMR structures of proteins , 2001, Nature Structural Biology.

[23]  C. Sich,et al.  Solution structure of a neurotrophic ligand bound to FKBP12 and its effects on protein dynamics. , 2000, European journal of biochemistry.

[24]  T. Ikegami,et al.  Solution Structure of the Chitin-binding Domain of Bacillus circulans WL-12 Chitinase A1* , 2000, The Journal of Biological Chemistry.

[25]  V. Tugarinov,et al.  NMR structure of an anti-gp120 antibody complex with a V3 peptide reveals a surface important for co-receptor binding. , 2000, Structure.

[26]  T. N. Bhat,et al.  The Protein Data Bank , 2000, Nucleic Acids Res..

[27]  Ron Kikinis,et al.  On the Laplace-Beltrami operator and brain surface flattening , 1999, IEEE Transactions on Medical Imaging.

[28]  Chris Sander,et al.  The FSSP database: fold classification based on structure-structure alignment of proteins , 1996, Nucleic Acids Res..

[29]  P. Strevens Iii , 1985 .

[30]  M. L. Connolly Analytical molecular surface calculation , 1983 .