@article {2022|2159, title = {Design {\textendash} a new way to look at old molecules}, journal = {Journal of Integrative Bioinformatics}, volume = {19}, year = {2022}, pages = {20220020}, doi = {doi:10.1515/jib-2022-0020}, url = {https://doi.org/10.1515/jib-2022-0020}, author = {Davide Spalvieri and Anne-Marine Mauviel and Matthieu Lambert and Nicolas F{\'e}rey and S Sacquin-Mora and Matthieu Chavent and Marc Baaden} } @article {2018|2093, title = {Dystrophin{\textquoteright}s central domain forms a complex filament that becomes disorganized by in-frame deletions.}, journal = {J Biol Chem}, volume = {293}, year = {2018}, month = {2018 05 04}, pages = {6637-6646}, abstract = {

Dystrophin, encoded by the gene, is critical for maintaining plasma membrane integrity during muscle contraction events. Mutations in the gene disrupting the reading frame prevent dystrophin production and result in severe Duchenne muscular dystrophy (DMD); in-frame internal deletions allow production of partly functional internally deleted dystrophin and result in less severe Becker muscular dystrophy (BMD). Many known BMD deletions occur in dystrophin\&$\#$39;s central domain, generally considered to be a monotonous rod-shaped domain based on the knowledge of spectrin family proteins. However, the effects caused by these deletions, ranging from asymptomatic to severe BMD, argue against the central domain serving only as a featureless scaffold. We undertook structural studies combining small-angle X-ray scattering and molecular modeling in an effort to uncover the structure of the central domain, as dystrophin has been refractory to characterization. We show that this domain appears to be a tortuous and complex filament that is profoundly disorganized by the most severe BMD deletion (loss of exons 45-47). Despite the preservation of large parts of the binding site for neuronal nitric oxide synthase (nNOS) in this deletion, computational approaches failed to recreate the association of dystrophin with nNOS. This observation is in agreement with a strong decrease of nNOS immunolocalization in muscle biopsies, a parameter related to the severity of BMD phenotypes. The structural description of the whole dystrophin central domain we present here is a first necessary step to improve the design of microdystrophin constructs toward the goal of a successful gene therapy for DMD.

}, keywords = {Binding Sites, Dystrophin, Exons, Gene Deletion, Humans, Molecular Docking Simulation, Muscular Dystrophy, Duchenne, Nitric Oxide Synthase Type I, Protein Domains, Reading Frames, Scattering, Small Angle, Solutions, X-Ray Diffraction}, issn = {1083-351X}, doi = {10.1074/jbc.M117.809798}, author = {Delalande, Olivier and Molza, Anne-Elisabeth and Dos Santos Morais, Raphael and Ch{\'e}ron, Ang{\'e}lique and Pollet, {\'E}meline and Raguenes-Nicol, C{\'e}line and Tascon, Christophe and Giudice, Emmanuel and Guilbaud, Marine and Nicolas, Aur{\'e}lie and Bondon, Arnaud and Leturcq, France and Nicolas F{\'e}rey and Marc Baaden and Perez, Javier and Roblin, Pierre and Pi{\'e}tri-Rouxel, France and Hubert, Jean-Fran{\c c}ois and Czjzek, Mirjam and Le Rumeur, Elisabeth} } @article {2018|2089, title = {Semantics for an Integrative and Immersive Pipeline Combining Visualization and Analysis of Molecular Data.}, journal = {J Integr Bioinform}, volume = {15}, year = {2018}, month = {2018 Jul 09}, abstract = {

The advances made in recent years in the field of structural biology significantly increased the throughput and complexity of data that scientists have to deal with. Combining and analyzing such heterogeneous amounts of data became a crucial time consumer in the daily tasks of scientists. However, only few efforts have been made to offer scientists an alternative to the standard compartmentalized tools they use to explore their data and that involve a regular back and forth between them. We propose here an integrated pipeline especially designed for immersive environments, promoting direct interactions on semantically linked 2D and 3D heterogeneous data, displayed in a common working space. The creation of a semantic definition describing the content and the context of a molecular scene leads to the creation of an intelligent system where data are (1) combined through pre-existing or inferred links present in our hierarchical definition of the concepts, (2) enriched with suitable and adaptive analyses proposed to the user with respect to the current task and (3) interactively presented in a unique working environment to be explored.

}, keywords = {Computer Graphics, Humans, Imaging, Three-Dimensional, Models, Structural, Semantics, Software, Statistics as Topic, User-Computer Interface}, issn = {1613-4516}, doi = {10.1515/jib-2018-0004}, author = {Trellet, Mikael and Nicolas F{\'e}rey and Floty{\'n}ski, Jakub and Marc Baaden and Bourdot, Patrick} } @booklet {2018|2066, title = {Ten simple rules to create a serious game, illustrated with examples from structural biology}, year = {2018}, author = {Marc Baaden and Delalande, Olivier and Nicolas F{\'e}rey and Pasquali, Samuela and Waldisp{\"u}hl, J{\'e}r{\^o}me and Antoine Taly} } @conference {2016|1415, title = {Interactive visual analytics of molecular data in immersive environments via a semantic definition of the content and the context}, booktitle = {2016 Workshop on Immersive Analytics (IA)}, year = {2016}, month = {March}, abstract = {

Bringing together, in a unique immersive environment, visualization and analysis of scientific and complex data requires a thorough approach in order to fulfill scientists\&$\#$39; specific expectations. Such an approach needs to consider the highly heterogeneous nature of data, the dynamic interactions between experts and data, and the large amount of data involved in scientific studies. Whereas small and static scientific datasets can quickly be deciphered thanks to standard immersive tools such as 3D visualization software packages, bigger and dynamic datasets exceed the analytical capacity of these tools, requiring an efficient platform for their manipulation. Through the example of the structural biology field we discuss the need for an approach based on a high-level definition of the content (scientific data) and the context (immersive environments and interfaces). Our design is illustrated by a platform for dynamic and intelligent representation of data to the user. The data hierarchical classification will provide new ways to interact with the data via intelligent and direct relationships between them. This approach is based on the semantic definition of all the concepts manipulated in the virtual environment, either abstract or concrete, which allows for an adaptive and interactive experience of both visualization and analysis.

}, keywords = {Computer Graphics [I.3.7]: Three-Dimensional Graphics and Realism-Virtual Reality, content high-level definition, content management, content semantic definition, Context, context high-level definition, context semantic definition, data analysis, data dynamic representation, data intelligent representation, data visualisation, Data visualization, molecular data interactive visual analysis, Ontologies, Resource description framework, Semantics, static scientific datasets, structural biology field, Three-dimensional displays, Tools, virtual environment, Virtual Reality}, doi = {10.1109/IMMERSIVE.2016.7932383}, author = {M. Trellet and Nicolas F{\'e}rey and Marc Baaden and P. Bourdot} } @conference {2015|1556, title = {Content and task based navigation for structural biology in 3D environments}, booktitle = {Virtual and Augmented Reality for Molecular Science (VARMS@IEEEVR), 2015 IEEE 1st International Workshop on}, year = {2015}, month = {mar}, pages = {31{\textendash}36}, keywords = {3D environment, biology computing, Cameras, content navigation, data visualisation, feature extraction, molecular biology, molecule visualisation, Navigation, Pro, rendering (computer graphics), stereoscopic rendering feature, structural biology, task based navigation}, author = {M. Trellet and Nicolas F{\'e}rey and Marc Baaden and P. Bourdot} } @conference {2014|1385, title = {Content-guided Navigation in Multimeric Molecular Complexes}, booktitle = {{BIOIMAGING} 2014 - Proceedings of the International Conference on Bioimaging, ESEO, Angers, Loire Valley, France, 3-6 March, 2014}, year = {2014}, pages = {76{\textendash}81}, doi = {10.5220/0004914300760081}, author = {M. Trellet and Nicolas F{\'e}rey and Marc Baaden and P. Bourdot} } @article {2014|1412, title = {{E}xa{V}iz: a flexible framework to analyse, steer and interact with molecular dynamics simulations}, journal = {Faraday Discuss.}, volume = {169}, year = {2014}, note = {[DOI:\href{http://dx.doi.org/10.1039/c3fd00142c}{10.1039/c3fd00142c}] [PubMed:\href{http://www.ncbi.nlm.nih.gov/pubmed/25340956}{25340956}]}, pages = {119{\textendash}142}, author = {Dreher, M and Prevoteau-Jonquet, J and Trellet, M and Piuzzi, M and Marc Baaden and Raffin, B and Nicolas F{\'e}rey and Robert, S and Limet, S.} } @article {2014|1411, title = {{I}nnovative interactive flexible docking method for multi-scale reconstruction elucidates dystrophin molecular assembly}, journal = {Faraday Discuss.}, volume = {169}, year = {2014}, note = {[DOI:\href{http://dx.doi.org/10.1039/c3fd00134b}{10.1039/c3fd00134b}] [PubMed:\href{http://www.ncbi.nlm.nih.gov/pubmed/25340652}{25340652}]}, pages = {45{\textendash}62}, author = {Molza, A. E and Nicolas F{\'e}rey and Czjzek, M and Le Rumeur, E and Hubert, J. F and Tek, A and Laurent, B and Marc Baaden and Delalande, O.} } @article {2013|1531, title = {Interactive Molecular Dynamics: Scaling up to Large Systems.}, journal = {Procedia Comput. Sci.}, volume = {18}, year = {2013}, pages = {20{\textendash}29}, doi = {10.1016/j.procs.2013.05.165}, author = {M. Dreher and M. Piuzzi and A. Turki and Matthieu Chavent and Marc Baaden and Nicolas F{\'e}rey and S. Limet and B. Raffin and S. Robert} } @article {2013|1426, title = {MANHaptic: A Haptic Adaptive Method for Precise Manipulation, Assembly \and Navigation}, journal = {International Journal on Human Machine Interaction}, volume = {1}, year = {2013}, pages = {60{\textendash}67}, author = {A. Tek and Marc Baaden and Nicolas F{\'e}rey and P. Bourdot} } @conference {2013|1381, title = {Navigation guid{\'e}e par le contenu pour l{\textquoteright}exploration mol{\'e}culaire.}, booktitle = {Actes de l{\textquoteright}AFRV}, year = {2013}, author = {M. Trellet and Nicolas F{\'e}rey and Marc Baaden and P. Bourdot} } @inbook {2012|1575, title = {Advances in Human-Protein Interaction - Interactive And Immersive Molecular Simulations}, year = {2012}, publisher = {Intech, Croatia}, organization = {Intech, Croatia}, chapter = {Protein Interaction / Book 2}, author = {A. Tek and B. Laurent and M. Piuzzi and Z. Lu and Marc Baaden and O. Delalande and Matthieu Chavent and Nicolas F{\'e}rey and C. Martin and L. Piccinali and B. Katz and P. Bourdot and Ludovic Autin}, editor = {W. Cai and H. Hong} } @conference {2010|1410, title = {Interacting with Molecular Simulations using a Multimodal VR Framework}, booktitle = {EuroVR-EVE}, year = {2010}, pages = {1{\textendash}4}, address = {Orsay, France}, author = {A Tek and B Laurent and Nicolas F{\'e}rey and Marc Baaden} } @article {2010|1512, title = {{M}odeling the early stage of {D}{N}{A} sequence recognition within {R}ec{A} nucleoprotein filaments}, journal = {Nucleic Acids Res.}, volume = {38}, year = {2010}, month = {oct}, pages = {6313{\textendash}6323}, author = {A Saladin and Amourda, C. and Poulain, P. and Nicolas F{\'e}rey and Marc Baaden and Martin Zacharias and Delalande, O. and Chantal Pr{\'e}vost} } @article {2010|1516, title = {{M}ulti-resolution approach for interactively locating functionally linked ion binding sites by steering small molecules into electrostatic potential maps using a haptic device}, journal = {Pac. Symp. Biocomput.}, year = {2010}, pages = {205{\textendash}215}, author = {Delalande, O. and Nicolas F{\'e}rey and Laurent, B. and Gueroult, M. and Hartmann, B. and Marc Baaden} } @article {2009|1435, title = {{C}omplex molecular assemblies at hand via interactive simulations}, journal = {J. Comput. Chem.}, volume = {30}, year = {2009}, month = {nov}, pages = {2375{\textendash}2387}, author = {Delalande, O. and Nicolas F{\'e}rey and Grasseau, G. and Marc Baaden} } @conference {2008|1557, title = {From Interactive to Immersive Molecular Dynamics}, booktitle = {Workshop on Virtual Reality Interaction and Physical Simulation (VRIPHYS 08 - Eurographics)}, year = {2008}, month = {nov}, pages = {89{\textendash}96}, address = {Grenoble - France}, author = {Nicolas F{\'e}rey and O. Delalande and G. Grasseau and Marc Baaden}, editor = {F. Faure and M. Teschner} } @conference {2008|1552, title = {User Needs Analysis to Design a 3D Multimodal Protein-Docking Interface}, booktitle = {Symposium on 3D User Interfaces 2008 (3DUI 2008 - IEEE)}, year = {2008}, month = {mar}, pages = {125{\textendash}132}, publisher = {Reno - USA}, organization = {Reno - USA}, author = {Nicolas F{\'e}rey and G. Bouyer and C. Martin and P. Bourdot and J. Nelson and and J.M. Burkhardt} } @conference {2008|1553, title = {A VR Framework for Interacting with Molecular Simulations}, booktitle = {Symposium on Virtual Reality Software and Technology (ACM-VRST 2008)}, year = {2008}, month = {oct}, pages = {91{\textendash}94}, address = {Bordeaux - France}, author = {Nicolas F{\'e}rey and O. Delalande and G. Grasseau and Marc Baaden} } @conference {2007|1491, title = {REVIVOS: REalit{\'e} VIrtuelle pour la construction de VOcabulaires Sp{\'e}cialis{\'e}s}, booktitle = {Journ{\'e}es Francophones d{\textquoteright}Ing{\'e}nierie des Connaissances (AFIA-IC 2007)}, year = {2007}, month = {jul}, address = {Grenoble - France}, author = {Nicolas F{\'e}rey and Claire Toffano-Nioche and Oriane Matte-Taillez and Rachid Gherbi and William Turner} } @mastersthesis {2006|1562, title = {Exploration Immersive de Donn{\'e}es G{\'e}nomiques Textuelles et Factuelles : vers une approche par Visual Mining}, year = {2006}, school = {Universit{\'e} de Paris Sud XI - Orsay}, type = {phd}, author = {Nicolas F{\'e}rey} } @article {2006|1497, title = {An Immersive Visualization and Interaction Paradigm for Genomic Databases Exploration}, journal = {Mediterranean Journal of Computers and Networks}, volume = {2}, number = {3}, year = {2006}, month = {jul}, pages = {118{\textendash}124}, author = {Nicolas F{\'e}rey and P.-E. Gros and R. Gherbi} } @conference {2006|1424, title = {Visual Mining for Microarray Knowledge Discovery}, booktitle = {International Conference on Information \& Communication Technologies: from Theory to Applications (ICTTA 2006 - IEEE)}, year = {2006}, month = {apr}, address = {Damascus - Syria}, author = {Nicolas F{\'e}rey and R. Gherbi} } @conference {2006|1421, title = {Yeast Naked DNA Spatial Organization Predisposes to Transcriptional Regulation}, booktitle = {International Conference on Computational Science and its Applications (ICCSA 2006)}, volume = {3984}, year = {2006}, month = {may}, pages = {222{\textendash}231}, address = {Glasgow, United Kingdom}, author = {O. Matte-Tailliez and J .H{\'e}risson and Nicolas F{\'e}rey and O. Magneau and P.-E. Gros and F. K{\'e}p{\`e}s and R. Gherbi} } @article {2005|1405, title = {Immersive graph-based visualization and exploration of biological data relationships}, journal = {Data Sci. J.}, volume = {4}, year = {2005}, month = {mar}, pages = {189{\textendash}194}, author = {Nicolas F{\'e}rey and P.-E. Gros and J. H{\'e}risson and R. Gherbi} } @conference {2005|1422, title = {Visual data mining of genomic databases by immersive graph-based exploration}, booktitle = {international Conference on Computer Graphics and interactive Techniques in Australasia and South East Asia (GRAPHITE 2005 - ACM-ACMSIGRAPH Sponsored)}, year = {2005}, month = {nov}, pages = {143{\textendash}146}, address = {Dunedin - New Zealand}, author = {Nicolas F{\'e}rey and P.-E. Gros and J. H{\'e}risson and R. Gherbi} } @conference {2004|1815, title = {Combining Applications and Databases Integration Approaches in a Common Distributed Genomic Platform}, booktitle = {International CODATA Conference, The Information Society: New Horizons for Science}, year = {2004}, month = {nov}, publisher = {Tamkang University}, organization = {Tamkang University}, address = {Berlin, Germany}, author = {P.-E. Gros and J. H{\'e}risson and Nicolas F{\'e}rey and R. Gherbi} } @conference {2004|1420, title = {A Distributed Multimedia Database Visualization within An Immersive Environment for Bioinformatics}, booktitle = {International Symposium on Multimedia Software Engineering (ISMSE 2004 - IEEE)}, year = {2004}, month = {dec}, pages = {156{\textendash}159}, address = {Miami - USA}, author = {Nicolas F{\'e}rey and P.-E. Gros and J. H{\'e}risson and R. Gherbi} } @conference {2004|1425, title = {DNA in Virtuo: Visualization and Exploration of 3D Genomic Structures}, booktitle = {International Conference on Virtual Reality, Computer Graphics, Visualization and Interaction (Afrigraph 2005 - ACM-SIGRAPH sponsored)}, year = {2004}, month = {nov}, address = {Stellenbosch (Cap town), South Africa}, author = {J. H{\'e}risson and P.-E. Gros and Nicolas F{\'e}rey and O. Magneau and R. Gherbi} } @conference {2004|1419, title = {DNA in Virtuo: Visualization and Virtual Manipulation of 3D Genomic Structures}, booktitle = {International CODATA Conference, The Information Society: New Horizons for Science}, year = {2004}, month = {nov}, address = {Berlin, Germany}, author = {J. H{\'e}risson and P.-E. Gros and Nicolas F{\'e}rey and O. Magneau and R. Gherbi} } @article {2004|1462, title = {Exploration by visualization of numerical and textual genomic data}, journal = {Journal of Biological Physics and Chemistry}, volume = {4}, number = {2}, year = {2004}, month = {jun}, pages = {102{\textendash}110}, author = {Nicolas F{\'e}rey and P.-E. Gros and J. H{\'e}risson and R. Gherbi} } @conference {2004|1423, title = {GenoMEDIA, a Midlleware Platform for Distributed Genomic Information}, booktitle = {International Conference on Information \& Communication Technologies: from Theory to Applications (ICTTA 2004 - IEEE)}, year = {2004}, month = {apr}, address = {Damascus - Syria}, author = {P.-E. Gros and Nicolas F{\'e}rey and J. H{\'e}risson and R. Gherbi} } @conference {2004|1418, title = {Immersive Graph-based Visualization and Exploration of Biological Data}, booktitle = {International CODATA Conference - The Information Society: New Horizons for Science}, year = {2004}, month = {nov}, address = {Berlin - Germany}, author = {Nicolas F{\'e}rey and P.-E. Gros and J. H{\'e}risson and R. Gherbi} } @conference {2004|1492, title = {Visualization and Exploration of Factual and Textual Genomic Data}, booktitle = {Journ{\'e}es Ouvertes de Biologie, Informatique et Math{\'e}matiques (JOBIM 2004)}, year = {2004}, month = {jun}, address = {Montr{\'e}al - Canada}, author = {Nicolas F{\'e}rey and P.-E. Gros and J. H{\'e}risson and R. Gherbi} }