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A survey of content based 3D shape retrieval methods
 Multimedia Tools and Applications
, 2008
"... Recent developments in techniques for modeling, digitizing and visualizing 3D shapes has led to an explosion in the number of available 3D models on the Internet and in domainspecific databases. This has led to the development of 3D shape retrieval systems that, given a query object, retrieve simil ..."
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Cited by 289 (1 self)
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Recent developments in techniques for modeling, digitizing and visualizing 3D shapes has led to an explosion in the number of available 3D models on the Internet and in domainspecific databases. This has led to the development of 3D shape retrieval systems that, given a query object, retrieve similar 3D objects. For visualization, 3D shapes are often represented as a surface, in particular polygonal meshes, for example in VRML format. Often these models contain holes, intersecting polygons, are not manifold, and do not enclose a volume unambiguously. On the contrary, 3D volume models, such as solid models produced by CAD systems, or voxels models, enclose a volume properly. This paper surveys the literature on methods for content based 3D retrieval, taking into account the applicability to surface models as well as to volume models. The methods are evaluated with respect to several requirements of content based 3D shape retrieval, such as: (1) shape representation requirements, (2) properties of dissimilarity measures, (3) efficiency, (4) discrimination abilities, (5) ability to perform partial matching, (6) robustness, and (7) necessity of pose normalization. Finally, the advantages and limits of the several approaches in content based 3D shape retrieval are discussed. 1.
Protein structure prediction on the Web: a case study using the Phyre server,
 Nat. Protoc.
, 2009
"... Abstract Determining the structure and function of a novel protein sequence is a cornerstone of many aspects of modern biology. Over the last three decades a number of stateoftheart computational tools for structure prediction have been developed. It is critical that the broader biological commu ..."
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Cited by 246 (10 self)
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Abstract Determining the structure and function of a novel protein sequence is a cornerstone of many aspects of modern biology. Over the last three decades a number of stateoftheart computational tools for structure prediction have been developed. It is critical that the broader biological community are aware of such tools and, more importantly, are capable of using them and interpreting their results in an informed way. This protocol provides a guide to interpreting the output of structure prediction servers in general and details one such tool in particular, the Phyre server. Phyre is widely used by the biological community with over 150 submissions per day and provides a simple interface to what can often seem an overwhelming wealth of data.
Improving the Prediction of Protein Secondary Structure in Three and Eight Classes Using Recurrent Neural Networks and Profiles
, 2001
"... Secondarystructurepredictions areincreasinglybecomingtheworkhorseforseveralmethodsaimingatpredictingproteinstructure andfunction.Hereweuseensemblesofbidirectionalrecurrentneuralnetworkarchitectures, PSIBLAST derivedprofiles,andalargenonredundant trainingsettoderivetwonewpredictors:(a)the secondvers ..."
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Cited by 216 (43 self)
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Secondarystructurepredictions areincreasinglybecomingtheworkhorseforseveralmethodsaimingatpredictingproteinstructure andfunction.Hereweuseensemblesofbidirectionalrecurrentneuralnetworkarchitectures, PSIBLAST derivedprofiles,andalargenonredundant trainingsettoderivetwonewpredictors:(a)the secondversionoftheSSproprogramforsecondary structureclassificationintothreecategoriesand(b) thefirstversionoftheSSpro8programforsecondarystructureclassificationintotheeightclasses producedbytheDSSPprogram.Wedescribethe resultsofthreedifferenttestsetsonwhichSSpro achievedasustainedperformanceofabout78% correctprediction.Wereportconfusionmatrices, comparePSIBLASTtoBLASTderivedprofiles,and assessthecorrespondingperformanceimprovements. SSproandSSpro8areimplementedasweb servers,availabletogetherwithotherstructural featurepredictorsat:http://promoter.ics.uci.edu/ BRNNPRED/.Proteins2002;47:228235.
MODBASE, a database of annotated comparative protein structure models
 Nucleic Acids Res
, 2000
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Prediction and functional analysis of native disorder in proteins from the three kingdoms of life
 J. Mol. Biol
, 2004
"... One of the central tenets of structural biology is that the function of a protein is determined by its threedimensional structure. As a result, predicting protein structure has often been at the forefront of ..."
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Cited by 155 (4 self)
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One of the central tenets of structural biology is that the function of a protein is determined by its threedimensional structure. As a result, predicting protein structure has often been at the forefront of
Finding frequent patterns in a large sparse graph
 SIAM Data Mining Conference
, 2004
"... This paper presents two algorithms based on the horizontal and vertical pattern discovery paradigms that find the connected subgraphs that have a sufficient number of edgedisjoint embeddings in a single large undirected labeled sparse graph. These algorithms use three different methods to determine ..."
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Cited by 130 (4 self)
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This paper presents two algorithms based on the horizontal and vertical pattern discovery paradigms that find the connected subgraphs that have a sufficient number of edgedisjoint embeddings in a single large undirected labeled sparse graph. These algorithms use three different methods to determine the number of the edgedisjoint embeddings of a subgraph that are based on approximate and exact maximum independent set computations and use it to prune infrequent subgraphs. Experimental evaluation on real datasets from various domains show that both algorithms achieve good performance, scale well to sparse input graphs with more than 100,000 vertices, and significantly outperform a previously developed algorithm.
Graph Kernels
, 2007
"... We present a unified framework to study graph kernels, special cases of which include the random walk (Gärtner et al., 2003; Borgwardt et al., 2005) and marginalized (Kashima et al., 2003, 2004; Mahé et al., 2004) graph kernels. Through reduction to a Sylvester equation we improve the time complexit ..."
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Cited by 98 (8 self)
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We present a unified framework to study graph kernels, special cases of which include the random walk (Gärtner et al., 2003; Borgwardt et al., 2005) and marginalized (Kashima et al., 2003, 2004; Mahé et al., 2004) graph kernels. Through reduction to a Sylvester equation we improve the time complexity of kernel computation between unlabeled graphs with n vertices from O(n 6) to O(n 3). We find a spectral decomposition approach even more efficient when computing entire kernel matrices. For labeled graphs we develop conjugate gradient and fixedpoint methods that take O(dn 3) time per iteration, where d is the size of the label set. By extending the necessary linear algebra to Reproducing Kernel Hilbert Spaces (RKHS) we obtain the same result for ddimensional edge kernels, and O(n 4) in the infinitedimensional case; on sparse graphs these algorithms only take O(n 2) time per iteration in all cases. Experiments on graphs from bioinformatics and other application domains show that these techniques can speed up computation of the kernel by an order of magnitude or more. We also show that certain rational kernels (Cortes et al., 2002, 2003, 2004) when specialized to graphs reduce to our random walk graph kernel. Finally, we relate our framework to Rconvolution kernels (Haussler, 1999) and provide a kernel that is close to the optimal assignment kernel of Fröhlich et al. (2006) yet provably positive semidefinite.