Bibliography
Major publications by the team in recent years
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1J.-D. Boissonnat, F. Cazals.
Smooth Surface Reconstruction via Natural Neighbour Interpolation of Distance Functions, in: Comp. Geometry Theory and Applications, 2002, p. 185–203. -
2B. Bouvier, R. Grunberg, M. Nilges, F. Cazals.
Shelling the Voronoi interface of protein-protein complexes reveals patterns of residue conservation, dynamics and composition, in: Proteins: structure, function, and bioinformatics, 2009, vol. 76, no 3, p. 677–692. -
3F. Cazals.
Effective nearest neighbors searching on the hyper-cube, with applications to molecular clustering, in: Proc. 14th Annu. ACM Sympos. Comput. Geom., 1998, p. 222–230. -
4F. Cazals, F. Chazal, T. Lewiner.
Molecular shape analysis based upon the Morse-Smale complex and the Connolly function, in: ACM SoCG, San Diego, USA, 2003. -
5F. Cazals, T. Dreyfus.
Multi-scale Geometric Modeling of Ambiguous Shapes with Toleranced Balls and Compoundly Weighted -shapes, in: Symposium on Geometry Processing, Lyon, B. Levy, O. Sorkine (editors), 2010, Also as INRIA Tech report 7306. -
6F. Cazals, J. Giesen.
Delaunay Triangulation Based Surface Reconstruction, in: Effective Computational Geometry for curves and surfaces, J.-D. Boissonnat, M. Teillaud (editors), Springer-Verlag, Mathematics and Visualization, 2006. -
7F. Cazals, C. Karande.
An algorithm for reporting maximal -cliques, in: Theoretical Computer Science, 2005, vol. 349, no 3, p. 484–490. -
8F. Cazals, S. Loriot.
Computing the exact arrangement of circles on a sphere, with applications in structural biology, in: Computational Geometry: Theory and Applications, 2009, vol. 42, no 6-7, p. 551–565, Preliminary version as INRIA Tech report 6049. -
9F. Cazals, M. Pouget.
Estimating Differential Quantities using Polynomial fitting of Osculating Jets, in: Computer Aided Geometric Design, 2005, vol. 22, no 2, p. 121–146, Conf. version: Symp. on Geometry Processing 2003. -
10F. Cazals, F. Proust, R. Bahadur, J. Janin.
Revisiting the Voronoi description of Protein-Protein interfaces, in: Protein Science, 2006, vol. 15, no 9, p. 2082–2092.
Doctoral Dissertations and Habilitation Theses
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11T. Dreyfus.
Assessing the Reconstruction of Macro-molecular Assemblies: the Example of the Nuclear Pore Complex, Informatique, Université de Nice Sophia Antipolis, 2011.
Articles in International Peer-Reviewed Journal
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12R. Andonov, N. Malod-Dognin, N. Yanev.
Maximum Contact Map Overlap Revisited, in: Journal of Computational Biology, January 2011, vol. 18, no 1, p. 1-15. [ DOI : 10.1089/cmb.2009.0196 ]
http://hal. inria. fr/ inria-00536624/ en -
13F. Cazals, D. Cohen-Steiner.
Reconstructing 3D compact sets, in: Computational Geometry Theory and Applications, 2011, vol. 45, no 1-2, p. 1–13. -
14F. Cazals, H. Kanhere, S. Loriot.
Computing the Volume of Union of Balls: a Certified Algorithm, in: ACM Transactions on Mathematical Software, 2011, vol. 38, no 1, p. 1–20. -
15S. Loriot, S. Sachdeva, K. Bastard, C. Prevost, F. Cazals.
On the Characterization and Selection of Diverse Conformational Ensembles, in: IEEE/ACM Transactions on Computational Biology and Bioinformatics, 2011, vol. 8, no 2, p. 487–498.
International Conferences with Proceedings
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16F. Cazals, N. Malod-Dognin.
Shape Matching by Localized Calculations of Quasi-isometric Subsets, with Applications to the Comparison of Protein Binding Patches, in: The 6th IAPR International Conference on Pattern Recognition in Bioinformatics (PRIB), Delft, Netherlands, Loog, Marco, Wessels, Lodewyk, Reinders, Marcel, d. Ridder, Dick (editors), Lecture Notes in Computer Science, Springer Berlin / Heidelberg, June 2011, vol. 7036, p. 272-283.
http://hal. inria. fr/ inria-00603375/ en -
17N. Malod-Dognin, M. L. Boudic-Jamin, P. Kamath, R. Andonov.
Using Dominances for Solving the Protein Family Identification Problem, in: 11th Workshop on Algorithms in Bioinformatics (WABI 2011), Saarbrücken, Germany, Przytycka, Teresa, Sagot, Marie-France (editors), Lecture Notes in Computer Science, Springer Berlin / Heidelberg, July 2011, vol. 6833, p. 201-212, Published in Workshop on Algorithms for Bioinformatics (WABI 2011) http://predictioncenter.org . [ DOI : 10.1007/978-3-642-23038-7_18 ]
http://hal. inria. fr/ inria-00609432/ en
National Conferences with Proceeding
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18M. L. Boudic-Jamin, N. Malod-Dognin, A. Cornu, J. Nicolas, R. Andonov.
Identification rapide de familles protéiques par dominance, in: 12th Annual Congress of the French National Society of Operations Research and Decision Science (ROADEF), Saint-Étienne, France, École Nationale Supérieure des Mines de Saint-Étienne, March 2011, vol. 2, p. 791-792, Publié dans le douzième congrès de la Société Française de Recherche Opérationnelle et d'Aide à la Décision (ROADEF 2011)..
http://hal. inria. fr/ inria-00611457/ en
Internal Reports
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19F. Cazals, T. Dreyfus.
Assessing the Reconstruction of Macro-molecular Assemblies: the Example of the Nuclear Pore Complex, INRIA, January 2011, no RR-7513.
http://hal. inria. fr/ inria-00559117/ en -
20T. Dreyfus, V. Doye, F. Cazals.
Assessing the Reconstruction of Macro-molecular Assemblies with Toleranced Models, INRIA, 2011, no RR-7768.
http://hal. inria. fr/ inria-00635590/ en -
21N. Malod-Dognin, A. Bansal, F. Cazals.
Characterizing the Morphology of Protein Binding Patches, INRIA, September 2011, no RR-7743.
http://hal. inria. fr/ inria-00626548/ en
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22F. Alber, S. Dokudovskaya, L. Veenhoff, W. Zhang, J. Kipper, D. Devos, A. Suprapto, O. Karni-Schmidt, R. Williams, B. Chait, M. Rout, A. Sali.
Determining the architectures of macromolecular assemblies, in: Nature, Nov 2007, vol. 450, p. 683-694. -
23F. Alber, S. Dokudovskaya, L. Veenhoff, W. Zhang, J. Kipper, D. Devos, A. Suprapto, O. Karni-Schmidt, R. Williams, B. Chait, A. Sali, M. Rout.
The molecular architecture of the nuclear pore complex, in: Nature, 2007, vol. 450, no 7170, p. 695–701. -
24F. Alber, F. Förster, D. Korkin, M. Topf, A. Sali.
Integrating Diverse Data for Structure Determination of Macromolecular Assemblies, in: Ann. Rev. Biochem., 2008, vol. 77, p. 11.1–11.35. -
25O. Becker, A. D. Mackerell, B. Roux, M. Watanabe.
Computational Biochemistry and Biophysics, M. Dekker, 2001. -
26A.-C. Camproux, R. Gautier, P. Tuffery.
A Hidden Markov Model derived structural alphabet for proteins, in: J. Mol. Biol., 2004, p. 591-605. -
27F. Chazal, D. Cohen-Steiner, A. Lieutier.
A sampling theory for compact sets in Euclidean space, in: Discrete and Computational Geometry, 2009, vol. 41, no 3, p. 461–479. -
28F. Chazal, A. Lieutier.
Weak Feature Size and persistent homology : computing homology of solids in from noisy data samples, in: ACM SoCG, 2005, p. 255-262. -
29D. Cohen-Steiner, H. Edelsbrunner, J. Harer.
Stability of Persistence Diagrams, in: ACM SoCG, 2005. -
30M. L. Connolly.
Analytical molecular surface calculation, in: J. Appl. Crystallogr., 1983, vol. 16, no 5, p. 548–558. -
31R. Dunbrack.
Rotamer libraries in the 21st century, in: Curr Opin Struct Biol, 2002, vol. 12, no 4, p. 431-440. -
32A. Fernandez, R. Berry.
Extent of Hydrogen-Bond Protection in Folded Proteins: A Constraint on Packing Architectures, in: Biophysical Journal, 2002, vol. 83, p. 2475-2481. -
33A. Fersht.
Structure and Mechanism in Protein Science: A Guide to Enzyme Catalysis and Protein Folding, Freeman, 1999. -
34M. Gerstein, F. Richards.
Protein geometry: volumes, areas, and distances, in: The international tables for crystallography (Vol F, Chap. 22), M. G. Rossmann, E. Arnold (editors), Springer, 2001, p. 531–539. -
35J. Giesen, M. John.
The Flow Complex: A Data Structure for Geometric Modeling, in: ACM SODA, 2003. -
36H. Gohlke, G. Klebe.
Statistical potentials and scoring functions applied to protein-ligand binding, in: Curr. Op. Struct. Biol., 2001, vol. 11, p. 231-235. -
37J. Janin, S. Wodak, M. Levitt, B. Maigret.
Conformations of amino acid side chains in proteins, in: J. Mol. Biol., 1978, vol. 125, p. 357–386. -
38V. K. Krivov, M. Karplus.
Hidden complexity of free energy surfaces for peptide (protein) folding, in: PNAS, 2004, vol. 101, no 41, p. 14766-14770. -
39E. Meerbach, C. Schutte, I. Horenko, B. Schmidt.
Metastable Conformational Structure and Dynamics: Peptides between Gas Phase and Aqueous Solution, in: Analysis and Control of Ultrafast Photoinduced Reactions. Series in Chemical Physics 87, O. Kuhn, L. Wudste (editors), Springer, 2007. -
40I. Mihalek, O. Lichtarge.
On Itinerant Water Molecules and Detectability of Protein-Protein Interfaces through Comparative Analysis of Homologues, in: JMB, 2007, vol. 369, no 2, p. 584–595. -
41J. Mintseris, B. Pierce, K. Wiehe, R. Anderson, R. Chen, Z. Weng.
Integrating statistical pair potentials into protein complex prediction, in: Proteins, 2007, vol. 69, p. 511–520. -
42M. Pettini.
Geometry and Topology in Hamiltonian Dynamics and Statistical Mechanics, Springer, 2007. -
43E. Plaku, H. Stamati, C. Clementi, L. Kavraki.
Fast and Reliable Analysis of Molecular Motion Using Proximity Relations and Dimensionality Reduction, in: Proteins: Structure, Function, and Bioinformatics, 2007, vol. 67, no 4, p. 897–907. -
44D. Rajamani, S. Thiel, S. Vajda, C. Camacho.
Anchor residues in protein-protein interactions, in: PNAS, 2004, vol. 101, no 31, p. 11287-11292. -
45D. Reichmann, O. Rahat, S. Albeck, R. Meged, O. Dym, G. Schreiber.
From The Cover: The modular architecture of protein-protein binding interfaces, in: PNAS, 2005, vol. 102, no 1, p. 57-62. [ DOI : 10.1073/pnas.0407280102 ]
http://www. pnas. org/ cgi/ content/ abstract/ 102/ 1/ 57 -
46F. Richards.
Areas, volumes, packing and protein structure, in: Ann. Rev. Biophys. Bioeng., 1977, vol. 6, p. 151-176. -
47G. Rylance, R. Johnston, Y. Matsunaga, C.-B. Li, A. Baba, T. Komatsuzaki.
Topographical complexity of multidimensional energy landscapes, in: PNAS, 2006, vol. 103, no 49, p. 18551-18555. -
48G. Schreiber, L. Serrano.
Folding and binding: an extended family business, in: Current Opinion in Structural Biology, 2005, vol. 15, no 1, p. 1–3. -
49M. Sippl.
Calculation of Conformational Ensembles from Potential of Mean Force: An Approach to the Knowledge-based prediction of Local Structures in Globular Proteins, in: J. Mol. Biol., 1990, vol. 213, p. 859-883. -
50C. Summa, M. Levitt, W. DeGrado.
An atomic environment potential for use in protein structure prediction, in: JMB, 2005, vol. 352, no 4, p. 986–1001. -
51S. Wodak, J. Janin.
Structural basis of macromolecular recognition, in: Adv. in protein chemistry, 2002, vol. 61, p. 9–73.