Browsing by Author "Montes, Matthieu"

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    Automatic Molecular Tour Creation: a Study
    (The Eurographics Association, 2023) Larroque, Vincent; Maria, Maxime; MĂ©rillou, Stephane; Montes, Matthieu; Singh, Gurprit; Chu, Mengyu (Rachel)
    Molecular system visualization is a difficult task even for experts as molecules can contain millions of atoms. Our goal is to create a tool to improve the preliminary study of molecules by automatically creating a tour of the interesting viewpoints around them. Since we noticed limited research specific to molecular visualization, we analyzed and adapted methods from the general field. Our preliminary study shows that our molecular tour is able to smoothly present key information automatically.
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    Protein Shape Retrieval Contest
    (The Eurographics Association, 2019) Langenfeld, Florent; Axenopoulos, Apostolos; Benhabiles, Halim; Daras, Petros; Giachetti, Andrea; Han, Xusi; Hammoudi, Karim; Kihara, Daisuke; Lai, Tuan M.; Liu, Haiguang; Melkemi, Mahmoud; Mylonas, Stelios K.; Terashi, Genki; Wang, Yufan; Windal, Feryal; Montes, Matthieu; Biasotti, Silvia and Lavoué, Guillaume and Veltkamp, Remco
    This track aimed at retrieving protein evolutionary classification based on their surfaces meshes only. Given that proteins are dynamic, non-rigid objects and that evolution tends to conserve patterns related to their activity and function, this track offers a challenging issue using biologically relevant molecules. We evaluated the performance of 5 different algorithms and analyzed their ability, over a dataset of 5,298 objects, to retrieve various conformations of identical proteins and various conformations of ortholog proteins (proteins from different organisms and showing the same activity). All methods were able to retrieve a member of the same class as the query in at least 94% of the cases when considering the first match, but show more divergent when more matches were considered. Last, similarity metrics trained on databases dedicated to proteins improved the results.