Abstract
Determining the occurrence of motifs yields profound insight for many biological systems, like metabolic, protein-protein interaction, and protein structure networks. Meaningful spatial protein-structure motifs include enzyme active sites and ligand-binding sites which are essential for function, shape, and performance of an enzyme. Analyzing their dynamics over time leads to a better understanding of underlying properties and processes. In this work, we present StreaM, a stream-based algorithm for counting undirected 4-vertex motifs in dynamic graphs. We evaluate StreaM against the four predominant approaches from the current state of the art on generated and real-world datasets, a simulation of a highly dynamic enzyme. For this case, we show that StreaM is capable to capture essential molecular protein dynamics and thereby provides a powerful method for evaluating large molecular dynamics trajectories. Compared to related work, our approach achieves speedups of up to 2, 300 times on real-world datasets.
This is a preview of subscription content, log in via an institution.
Buying options
Tax calculation will be finalised at checkout
Purchases are for personal use only
Learn about institutional subscriptionsReferences
Albert, I., Albert, R.: Conserved network motifs allow protein-protein interaction prediction. Bioinformatics 20(18), 3346–52 (2004)
Alder, B.J., Wainwright, T.E.: Studies in molecular dynamics. J. Chem. Phys. 31(2), 459–466 (1959)
Alon, N., et al.: Biomolecular network motif counting and discovery by color coding. Bioinformatics 24(13), 241–249 (2008)
Atilgan, A.R., et al.: Anisotropy of fluctuation dynamics of proteins with an elastic network model. Biophys. J. 80(1), 505–515 (2001)
Biemann, C., et al.: Quantifying semantics using complex network analysis. In: COLING (2012)
Chakraborty, S., Biswas, S.: Approximation algorithms for 3-D common substructure identification in drug and protein molecules. In: Dehne, F., Gupta, A., Sack, J.-R., Tamassia, R. (eds.) WADS 1999. LNCS, vol. 1663, pp. 253–264. Springer, Heidelberg (1999)
Chen, J., et al.: Nemofinder: Dissecting genome-wide protein-protein interactions with meso-scale network motifs. In: ACM SIGKDD (2006)
Chen, J., et al.: Labeling network motifs in protein interactomes for protein function prediction. In: IEEE ICDE (2007)
Colak, R., et al.: Dense graphlet statistics of protein interaction and random networks. In: Pacific Symposium on Biocomputing (2009)
Duan, Y., et al.: A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations. J. Comput. Chem. 24(16), 1999–2012 (2003)
Ediger, D., et al.: Massive streaming data analytics: a case study with clustering coefficients. In: IEEE IPDPSW (2010)
Feldman, D., Shavitt, Y.: Automatic large scale generation of internet pop level maps. In: IEEE GLOBECOM (2008)
Feldman, D., et al.: A structural approach for pop geo-location. Comput. Netw. 56, 1029–1040 (2012)
Gonen, M., Shavitt, Y.: Approximating the number of network motifs. Internet Math. 6(3), 349–372 (2009)
Hales, D., Arteconi, S.: Motifs in evolving cooperative networks look like protein structure networks. Netw. Heterogen. Media 3(2), 239–249 (2008)
Hutchinson, E.G., Thornton, J.M.: Promotif– program to identify and analyze structural motifs in proteins. Protein Sci. 5(2), 212–220 (1996)
Jurgens, D., Lu, T.: Temporal motifs reveal the dynamics of editor interactions in wikipedia. In: ICWSM (2012)
Kalir, S., et al.: Ordering genes in a flagella pathway by analysis of expression kinetics from living bacteria. Science 292(5524), 2080–2083 (2001)
Kashani, Z.R.M., et al.: Kavosh: a new algorithm for finding network motifs. BMC Bioinformatics, 10(1) (2009)
Kashtan, N., et al.: Mfinder tool guide. Technical report (2002)
Kim, J., et al.: Coupled feedback loops form dynamic motifs of cellular networks. Biophys. J. 94(2), 359–365 (2008)
Kleywegt, D.J.: Recognition of spatial motifs in protein structures. J. Mol. Biol. 285(4), 1887–1897 (1999)
Kovanen, L., et al.: Temporal motifs in time-dependent networks. Journal of Statistical Mechanics: Theory and Experiment (2011)
Krieger, E., et al.: Increasing the precision of comparative models with YASARA NOVA-a self-parameterizing force field. Proteins 47, 393–402 (2002)
Krieger, E., et al.: Fast empirical pKa prediction by Ewald summation. Journal of molecular graphics & modelling (2006)
Krumov, L., et al.: Leveraging network motifs for the adaptation of structured peer-to-peer-networks. In: IEEE GLOBECOM (2010)
Maslov, S., Sneppen, K.: Specificity and stability in topology of protein networks. Science 296, 910–913 (2002)
Meira, L.A.A., et al.: acc-motif detection tool (2012). arXiv:1203.3415
Michels, A., et al.: Verwendung von esterasen zur spaltung von kunststoffen (2011)
Milenkoviæ, T., Pržulj, N.: Uncovering biological network function via graphlet degree signatures. Cancer Inform. 6, 257–273 (2008)
Milo, R., et al.: Network motifs: simple building blocks of complex networks. Science 298(5594), 824–827 (2002)
Miyazawa, S., Jernigan, R.L.: Residue-residue potentials with a favorable contact pair term and an unfavorable high packing density term, for simulation and threading. J. Mol. Biol. 256, 623–644 (1996)
Panni, S., Rombo, S.E.: Searching for repetitions in biological networks: methods, resources and tools. Briefings Bioinform. 16(1), 118–136 (2015)
Rauch, M., et al.: Computing on data streams. In: DIMACS Workshop External Memory and Visualization (1999)
Ribeiro, P., Silva, F.: G-tries: an efficient data structure for discovering network motifs. In: ACM Symposium on Applied Computing (2010)
Royer, L., et al.: Unraveling protein networks with power graph analysis. PLoS Comput. Biol. 4(7) (2008)
Schatz, M., et al.: Parallel network motif finding. University of Maryland, Technical report (2008)
Schiller, B., Strufe, T.: Dynamic network analyzer building a framework for the graph-theoretic analysis of dynamic networks. In: SummerSim (2013)
Schreiber, F., Schwöbbermeyer, H.: Mavisto: a tool for the exploration of network motifs. Bioinformatics, 21( 9 ), 2076–2082 (2005)
Shen-Orr, S.S., et al.: Network motifs in the transcriptional regulation network of escherichia coli. Nature Genet 31, 64–68 (2002)
Tran, N., et al.: Counting motifs in the human interactome. Nature Communications (2013)
Wernicke, S.: Efficient detection of network motifs. IEEE ACM TCBB 3(4), 321–322 (2006)
Wernicke, S., Rasche, F.: Fanmod: a tool for fast network motif detection. Bioinformatics 22(9), 1152–1153 (2006)
Zhao, Z., et al.: Subgraph enumeration in large social contact networks using parallel color coding and streaming. In: ICPP (2010)
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2015 Springer International Publishing Switzerland
About this paper
Cite this paper
Schiller, B., Jager, S., Hamacher, K., Strufe, T. (2015). StreaM - A Stream-Based Algorithm for Counting Motifs in Dynamic Graphs. In: Dediu, AH., Hernández-Quiroz, F., Martín-Vide, C., Rosenblueth, D. (eds) Algorithms for Computational Biology. AlCoB 2015. Lecture Notes in Computer Science(), vol 9199. Springer, Cham. https://doi.org/10.1007/978-3-319-21233-3_5
Download citation
DOI: https://doi.org/10.1007/978-3-319-21233-3_5
Published:
Publisher Name: Springer, Cham
Print ISBN: 978-3-319-21232-6
Online ISBN: 978-3-319-21233-3
eBook Packages: Computer ScienceComputer Science (R0)