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Bibliography

Major publications by the team in recent years
  • 1A. W. Ghoorah, M.-D. Devignes, M. Smaïl-Tabbone, D. Ritchie.

    Spatial clustering of protein binding sites for template based protein docking, in: Bioinformatics, August 2011, vol. 27, no 20, pp. 2820-2827. [ DOI : 10.1093/bioinformatics/btr493 ]

    https://hal.inria.fr/inria-00617921
  • 2A. W. Ghoorah, M.-D. Devignes, M. Smaïl-Tabbone, D. Ritchie.

    Protein Docking Using Case-Based Reasoning, in: Proteins, October 2013, vol. 81, no 12, pp. 2150-2158. [ DOI : 10.1002/prot.24433 ]

    https://hal.inria.fr/hal-00880341
  • 3A. W. Ghoorah, M.-D. Devignes, M. Smaïl-Tabbone, D. Ritchie.

    KBDOCK 2013: A spatial classification of 3D protein domain family interactions, in: Nucleic Acids Research, January 2014, vol. 42, no D1, pp. 389-395.

    https://hal.inria.fr/hal-00920612
  • 4T. V. Hoang, X. Cavin, D. Ritchie.

    gEMfitter: A highly parallel FFT-based 3D density fitting tool with GPU texture memory acceleration, in: Journal of Structural Biology, September 2013. [ DOI : 10.1016/j.jsb.2013.09.010 ]

    https://hal.inria.fr/hal-00866871
  • 5T. Hoang, X. Cavin, P. Schultz, D. Ritchie.

    gEMpicker: a highly parallel GPU-accelerated particle picking tool for cryo-electron microscopy, in: BMC Structural Biology, 2013, vol. 13, no 1, 25 p. [ DOI : 10.1186/1472-6807-13-25 ]

    https://hal.inria.fr/hal-00955580
  • 6G. Macindoe, L. Mavridis, V. Venkatraman, M.-D. Devignes, D. Ritchie.

    HexServer: an FFT-based protein docking server powered by graphics processors, in: Nucleic Acids Research, May 2010, vol. 38, pp. W445-W449. [ DOI : 10.1093/nar/gkq311 ]

    https://hal.inria.fr/inria-00522712
  • 7V. Pérez-Nueno, A. S. Karaboga, M. Souchet, D. Ritchie.

    GESSE: Predicting Drug Side Effects from Drug–Target Relationships, in: Journal of Chemical Information and Modeling, August 2015, vol. 55, no 9, pp. 1804-1823. [ DOI : 10.1021/acs.jcim.5b00120 ]

    https://hal.inria.fr/hal-01216493
  • 8D. W. Ritchie, S. Grudinin.

    Spherical polar Fourier assembly of protein complexes with arbitrary point group symmetry, in: Journal of Applied Crystallography, February 2016, vol. 49, no 1, pp. 158-167. [ DOI : 10.1107/S1600576715022931 ]

    https://hal.inria.fr/hal-01261402
  • 9D. Ritchie.

    Calculating and scoring high quality multiple flexible protein structure alignments, in: Bioinformatics, May 2016, vol. 32, no 17, pp. 2650-2658. [ DOI : 10.1093/bioinformatics/btw300 ]

    https://hal.inria.fr/hal-01371083
  • 10D. W. Ritchie, V. Venkatraman.

    Ultra-fast FFT protein docking on graphics processors, in: Bioinformatics, August 2010, vol. 26, no 19, pp. 2398-2405. [ DOI : 10.1093/bioinformatics/btq444 ]

    https://hal.inria.fr/inria-00537988
Publications of the year

Articles in International Peer-Reviewed Journals

  • 11S. Z. Alborzi, M.-D. Devignes, D. W. Ritchie.

    ECDomainMiner: discovering hidden associations between enzyme commission numbers and Pfam domains, in: BMC Bioinformatics, December 2017, vol. 18, no 1, 107 p. [ DOI : 10.1186/s12859-017-1519-x ]

    https://hal.inria.fr/hal-01466842
  • 12S. Aridhi, A. Montresor, Y. Velegrakis.

    BLADYG: A Graph Processing Framework for Large Dynamic Graphs, in: Big Data Research, 2017, https://arxiv.org/abs/1701.00546v1. [ DOI : 10.1016/j.bdr.2017.05.003 ]

    https://hal.inria.fr/hal-01577882
  • 13C. Chamard-Jovenin, C. Thiebaut, A. Chesnel, E. Bresso, C. Morel, M. Smaïl-Tabbone, M.-D. Devignes, T. Boukhobza, H. Dumond.

    Low-dose alkylphenol exposure promotes mammary epithelium alterations and transgenerational developmental defects, but does not enhance tumorigenic behaviour of breast cancer cells, in: Frontiers in Endocrinology, October 2017, vol. 8, 272 p. [ DOI : 10.3389/fendo.2017.00272 ]

    https://hal.archives-ouvertes.fr/hal-01609240
  • 14C. Coluzzi, G. Guédon, M.-D. Devignes, C. Ambroset, V. Loux, S. Payot, N. N. Leblond-Bourget, T. Lacroix.

    A Glimpse into the World of Integrative and Mobilizable Elements in Streptococci Reveals an Unexpected Diversity and Novel Families of Mobilization Proteins, in: Frontiers in Microbiology, March 2017, vol. 8, 16 p. [ DOI : 10.3389/fmicb.2017.00443 ]

    https://hal.inria.fr/hal-01580789
  • 15P. Couvineau, H. de Almeida, B. Maigret, C. Llorens-Cortes, X. Iturrioz.

    Involvement of arginine 878 together with Ca2+ in aminopeptidase A substrate specificity for N-terminal acidic amino-acid residues, in: PLoS ONE, September 2017.

    https://hal.inria.fr/hal-01580832
  • 16S. Dey, D. Ritchie, E. D. Levy.

    PDB-wide identification of biological assemblies from conserved quaternary structure geometry, in: Nature Methods, November 2017, pp. 1-20. [ DOI : 10.1038/nmeth.4510 ]

    https://hal.inria.fr/hal-01652359
  • 17W. Dhifli, S. Aridhi, E. Mephu Nguifo.

    MR-SimLab: Scalable subgraph selection with label similarity for big data, in: Information Systems, 2017, vol. 69, pp. 155 - 163. [ DOI : 10.1016/j.is.2017.05.006 ]

    https://hal.inria.fr/hal-01573398
  • 18M. El Houasli, B. Maigret, M.-D. Devignes, A. W. Ghoorah, S. Grudinin, D. Ritchie.

    Modeling and minimizing CAPRI round 30 symmetrical protein complexes from CASP-11 structural models, in: Proteins: Structure, Function, and Genetics, March 2017, vol. 85, no 3, pp. 463–469. [ DOI : 10.1002/prot.25182 ]

    https://hal.inria.fr/hal-01388654
  • 19N. E. I. Karabadji, H. Seridi, F. Bousetouane, W. Dhifli, S. Aridhi.

    An evolutionary scheme for decision tree construction, in: Knowledge-Based Systems, March 2017, vol. 119, pp. 166 - 177. [ DOI : 10.1016/j.knosys.2016.12.011 ]

    https://hal.inria.fr/hal-01574079
  • 20G. Personeni, E. Bresso, M.-D. Devignes, M. Dumontier, M. Smaïl-Tabbone, A. Coulet.

    Discovering associations between adverse drug events using pattern structures and ontologies, in: Journal of Biomedical Semantics, 2017, vol. 93, pp. 539 - 546. [ DOI : 10.1038/clpt.2013.24 ]

    https://hal.inria.fr/hal-01576341
  • 21S. Roselli, A. Olry, S. Vautrin, O. O. Coriton, D. Ritchie, G. Galati, N. Navrot, C. Krieger, G. Vialart, H. H. Berges, F. Bourgaud, A. Hein.

    A bacterial artificial chromosome (BAC) genomic approach reveals partial clustering of the furanocoumarin pathway genes in parsnip, in: Plant Journal, February 2017, vol. 89, no 6, pp. 1119-1132. [ DOI : 10.1111/tpj.13450 ]

    https://hal.inria.fr/hal-01531248

International Conferences with Proceedings

  • 22S. Z. Alborzi, S. Aridhi, M.-D. Devignes, R. Saidi, A. Renaux, M. J. Martin, D. W. Ritchie.

    Automatic Generation of Functional Annotation Rules Using Inferred GO-Domain Associations, in: Function-SIG ISMB/ECCB 2017, Prague, Czech Republic, biofunctionprediction.org, July 2017.

    https://hal.inria.fr/hal-01573070
  • 23S. Z. Alborzi, M.-D. Devignes, D. Ritchie.

    Associating Gene Ontology Terms with Pfam Protein Domains, in: 5th International Work-Conference on Bioinformatics and Biomedical Engineering - IWBBIO 2017, Granada, Spain, I. Rojas, F. Ortuño (editors), Bioinformatics and Biomedical Engineering, Springer, April 2017, vol. 10209, pp. 127-138. [ DOI : 10.1007/978-3-319-56154-7_13 ]

    https://hal.inria.fr/hal-01531204

Other Publications

  • 24S. Z. Alborzi, M.-D. Devignes, S. Aridhi, R. Saidi, A. Renaux, M. J. Martin, D. W. Ritchie.

    Automatic Generation of Functional Annotation Rules Using Inferred GO-Domain Associations, July 2017, Function-SIG ISMB/ECCB 2017, Poster.

    https://hal.inria.fr/hal-01573079
  • 25S. Aridhi, S. Z. Alborzi, M. Smaïl-Tabbone, M.-D. Devignes, D. Ritchie.

    Neighborhood-Based Label Propagation in Large Protein Graphs, July 2017, 2 p, Function SIG @ ISMB/ECCB 2017, Poster.

    https://hal.inria.fr/hal-01573381
References in notes
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    Coarse-grained modelling of protein-protein interactions, in: Current Opinion in Structural Biology, 2013, vol. 23, pp. 878–886.
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    Structure-based virtual screening of hypothetical inhibitors of the enzyme longiborneol synthase-a potential target to reduce Fusarium head blight disease, in: Journal of Molecular Modeling, July 2016, vol. 22, no 7. [ DOI : 10.1007/s00894-016-3021-1 ]

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  • 32I. J. Chauvot De Beauchene, S. J. De Vries, M. J. Zacharias.

    Fragment-based modeling of protein-bound ssRNA, September 2016, ECCB 2016: The 15th European Conference on Computational Biology, Poster.

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  • 33I. Chauvot de Beauchêne, S. J. De Vries, M. Zacharias.

    Fragment-based modelling of single stranded RNA bound to RNA recognition motif containing proteins, in: Nucleic Acids Research, June 2016. [ DOI : 10.1093/nar/gkw328 ]

    https://hal.archives-ouvertes.fr/hal-01505862
  • 34K. Dalleau, M. Couceiro, M.-D. Devignes, C. Raïssi, M. Smaïl-Tabbone.

    Using aggregation functions on structured data: a use case in the FIGHT-HF project, in: International Symposium on Aggregation and Structures (ISAS 2016) , Luxembourg, Luxembourg, G. Kiss, J.-L. Marichal, B. Teheux (editors), International Symposium on Aggregation and Structures (ISAS 2016) - Book of abstracts, July 2016.

    https://hal.inria.fr/hal-01399232
  • 35S. J. De Vries, I. Chauvot de Beauchêne, c. E. M. Schindler, M. Zacharias.

    Cryo-EM Data Are Superior to Contact and Interface Information in Integrative Modeling, in: Biophysical Journal, February 2016. [ DOI : 10.1016/j.bpj.2015.12.038 ]

    https://hal.archives-ouvertes.fr/hal-01505863
  • 36M.-D. Devignes, B. Sidahmed, M. Smaïl-Tabbone, N. Amedeo, P. Olivier.

    Functional classification of genes using semantic distance and fuzzy clustering approach: Evaluation with reference sets and overlap analysis, in: international Journal of Computational Biology and Drug Design. Special Issue on: ”Systems Biology Approaches in Biological and Biomedical Research”, 2012, vol. 5, no 3/4, pp. 245-260.

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  • 37S. E. Dobbins, V. I. Lesk, M. J. E. Sternberg.

    Insights into protein flexibility: The relationship between normal modes and conformational change upon protein–protein docking, in: Proceedings of National Academiy of Sciences, 2008, vol. 105, no 30, pp. 10390–10395.
  • 38R. D. Finn, J. Mistry, J. Tate, P. Coggill, A. Heger, J. E. Pollington, O. L. Gavin, P. Gunasekaran, G. Ceric, K. Forslund, L. Holm, E. L. L. Sonnhammer, S. R. Eddy, A. Bateman.

    The Pfam protein families database, in: Nucleic Acids Research, 2010, vol. 38, pp. D211–D222.
  • 39W. J. Frawley, G. Piatetsky-Shapiro, C. J. Matheus.

    Knowledge Discovery in Databases: An Overview, in: AI Magazine, 1992, vol. 13, pp. 57–70.
  • 40R. Fronzes, E. Schäfer, L. Wang, H. R. Saibil, E. V. Orlova, G. Waksman.

    Structure of a type IV secretion system core complex, in: Science, 2011, vol. 323, pp. 266–268.
  • 41R. A. Goldstein.

    The structure of protein evolution and the evolution of proteins structure, in: Current Opinion in Structural Biology, 2008, vol. 18, pp. 170–177.
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    The HUPO PSI's Molecular Interaction format – a community standard for the representation of protein interaction data, in: Nature Biotechnology, 2004, vol. 22, no 2, pp. 177-183.
  • 43H. I. Ingólfsson, C. A. Lopez, J. J. Uusitalo, D. H. de jong, S. M. Gopal, X. Periole, S. R. Marrink.

    The power of coarse graining in biomolecular simulations, in: WIRES Comput. Mol. Sci., 2013, vol. 4, pp. 225–248.

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  • 45P. J. Kundrotas, Z. W. Zhu, I. A. Vakser.

    GWIDD: Genome-wide protein docking database, in: Nucleic Acids Research, 2010, vol. 38, pp. D513–D517.
  • 46M. F. Lensink, S. J. Wodak.

    Docking and scoring protein interactions: CAPRI 2009, in: Proteins, 2010, vol. 78, pp. 3073–3084.
  • 47N. F. Martins, E. Bresso, R. C. Togawa, M. Urban, J. Antoniw, B. Maigret, K. Hammond-Kosack.

    Searching for Novel Targets to Control Wheat Head Blight Disease-I-Protein Identification, 3D Modeling and Virtual Screening, in: Advances in Microbiology, September 2016, vol. 06, no 11, pp. 811 - 830. [ DOI : 10.4236/aim.2016.611079 ]

    https://hal.inria.fr/hal-01392860
  • 48L. Mavridis, V. Venkatraman, D. W. Ritchie.

    A Comprehensive Comparison of Protein Structural Alignment Algorithms, in: 3DSIG – 8th Structural Bioinformatics and Computational Biophysics Meeting, Long Beach, California, ISMB, 2012, vol. 8, 89 p.
  • 49A. May, M. Zacharias.

    Energy minimization in low-frequency normal modes to efficiently allow for global flexibility during systematic protein-protein docking, in: Proteins, 2008, vol. 70, pp. 794–809.
  • 50I. H. Moal, P. A. Bates.

    SwarmDock and the Use of Normal Modes in Protein-Protein Docking, in: International Journal of Molecular Sciences, 2010, vol. 11, no 10, pp. 3623–3648.
  • 51C. Morris.

    Towards a structural biology work bench, in: Acta Crystallographica, 2013, vol. PD69, pp. 681–682.
  • 52D. Mustard, D. Ritchie.

    Docking essential dynamics eigenstructures, in: Proteins: Structure, Function, and Genetics, 2005, vol. 60, pp. 269-274. [ DOI : 10.1002/prot.20569 ]

    https://hal.inria.fr/inria-00434271
  • 53S. Orchard, S. Kerrien, S. Abbani, B. Aranda, J. Bhate, S. Bidwell, A. Bridge, L. Briganti, F. S. L. Brinkman, G. Cesareni, A. Chatraryamontri, E. Chautard, C. Chen, M. Dumousseau, J. Goll, R. E. W. Hancock, L. I. Hannick, I. Jurisica, J. Khadake, D. J. Lynn, U. Mahadevan, L. Perfetto, A. Raghunath, S. Ricard-Blum, B. Roechert, L. Salwinski, V. Stümpflen, M. Tyers, P. Uetz, I. Xenarios, H. Hermjakob.

    Protein interaction data curation: the International Molecular Exchange (IMEx) consortium, in: Nature Methods, 2012, vol. 9, no 4, pp. 345-350.
  • 54G. Personeni, S. Daget, C. Bonnet, P. Jonveaux, M.-D. Devignes, M. Smaïl-Tabbone, A. Coulet.

    ILP for Mining Linked Open Data: a biomedical Case Study, in: The 24th International Conference on Inductive Logic Programming (ILP 2014), Nancy, France, September 2014.

    https://hal.inria.fr/hal-01095597
  • 55G. Personeni, S. Daget, C. Bonnet, P. Jonveaux, M.-D. Devignes, M. Smaïl-Tabbone, A. Coulet.

    Mining Linked Open Data: A Case Study with Genes Responsible for Intellectual Disability, in: Data Integration in the Life Sciences - 10th International Conference, DILS 2014, Lisbon, Portugal, H. Galhardas, E. Rahm (editors), Lecture Notes in Computer Science, Springer, 2014, vol. 8574, pp. 16 - 31.

    https://hal.inria.fr/hal-01095591
  • 56G. Personeni, M.-D. Devignes, M. Dumontier, M. Smaïl-Tabbone, A. Coulet.

    Discovering ADE associations from EHRs using pattern structures and ontologies, in: Phenotype Day, Bio-Ontologies SIG, ISMB, Orlando, United States, July 2016.

    https://hal.inria.fr/hal-01369448
  • 57G. Personeni, M.-D. Devignes, M. Dumontier, M. Smaïl-Tabbone, A. Coulet.

    Extraction d'association d'EIM à partir de dossiers patients : expérimentation avec les structures de patrons et les ontologies, in: Deuxième Atelier sur l'Intelligence Artificielle et la Santé, Montpellier, France, Atelier IA & Santé, June 2016.

    https://hal.inria.fr/hal-01391172
  • 58B. Pierce, W. Tong, Z. Weng.

    M-ZDOCK: A Grid-Based Approach for Cn Symmetric Multimer Docking, in: Bioinformatics, 2005, vol. 21, no 8, pp. 1472–1478.
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    Fast Protein Structure Alignment using Gaussian Overlap Scoring of Backbone Peptide Fragment Similarity, in: Bioinformatics, October 2012, vol. 28, no 24, pp. 3274-3281. [ DOI : 10.1093/bioinformatics/bts618 ]

    https://hal.inria.fr/hal-00756813
  • 60D. Ritchie, G. J. Kemp.

    Protein docking using spherical polar Fourier correlations, in: Proteins: Structure, Function, and Genetics, 2000, vol. 39, pp. 178-194.

    https://hal.inria.fr/inria-00434273
  • 61D. Ritchie, D. Kozakov, S. Vajda.

    Accelerating and focusing protein–protein docking correlations using multi-dimensional rotational FFT generating functions, in: Bioinformatics, June 2008, vol. 24, no 17, pp. 1865-1873. [ DOI : 10.1093/bioinformatics/btn334 ]

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    Recent Progress and Future Directions in Protein-Protein Docking, in: Current Protein and Peptide Science, February 2008, vol. 9, no 1, pp. 1-15. [ DOI : 10.2174/138920308783565741 ]

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    Flexible protein docking refinement using pose-dependent normal mode analysis, in: Proteins, June 2012, vol. 80, no 9, pp. 2262-2274. [ DOI : 10.1002/prot.24115 ]

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    Integrative Structural Biology, in: Biochemistry, 2013, vol. 6122, pp. 913–915.
  • 70S. Yand, P. E. Bourne.

    The Evolutionary History of Protein Domains Viewed by Species Phylogeny, in: PLoS One, 2009, vol. 4, e8378.
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  • 72H. de Almeida, V. Leroux, F. N. Motta, P. Grellier, B. Maigret, J. M. Santana, I. M. D. Bastos.

    Identification of novel Trypanosoma cruzi prolyl oligopeptidase inhibitors by structure-based virtual screening, in: Journal of Computer-Aided Molecular Design, October 2016. [ DOI : 10.1007/s10822-016-9985-1 ]

    https://hal.inria.fr/hal-01392842
  • 73A. Özgur, Z. Xiang, D. R. Radev, Y. He.

    Mining of vaccine-associated IFN-γ gene interaction networks using the Vaccine Ontology, in: Journal of Biomedical Semantics, 2011, vol. 2 (Suppl 2), S8 p.