Publications

    A) Peer-reviewed scientific articles

    Leo Ghemtio, Anne S, Marjo Y, Jouni H, Moshe F, Henri X. 2013. Structure-activity relationships of UGT1A6 inhibitors: SVM classification and CoMSIA modelling of interacting molecules Journal of Chemical Information and Modeling, (ASAP)

    del Amo EM, Ghemtio L, Xhaard H, Yliperttula M, Urtti A, et al. (2013) Applying Linear and Non-Linear Methods for Parallel Prediction of Volume of Distribution and Fraction of Unbound Drug. PLoS ONE 8(10): e74758. doi:10.1371/journal.pone.0074758

    Leo Ghemtio, Muzet N. 2013. Retrospective molecular docking study of WY-25105 ligand to β-secretase and bias of the three-dimensional structure flexibility Journal of molecular Modeling, 19(8), 2971-2979

    Leo Ghemtio, Smaïl-Tabbone M, Djikeng A, Devignes MD, Keminse L, Birama N, Petronin F, Fokam J, Maigret B, Ouwe-Missi-Oukem-Boyer O. 2011. HIV-PDI: A protein-drug interaction resource for structural analyses of HIV drug resistance: 1. Concepts and associated database Journal of Health and Medical Informatics, 2 (1), 100-104

    Leo Ghemtio, Smaïl-Tabbone M, Djikeng A, Devignes MD, Keminse L, Birama N, Petronin F, Fokam J, Maigret B, Ouwe-Missi-Oukem-Boyer O. 2011. HIV-PDI: A protein drug interaction resource for structural analyses of HIV drug resistance: 2. Examples of use and proof-of-concept Journal of Health and Medical Informatics, 2 (1), 100-105.

    Leo Ghemtio, Maigret B, Emmanuel J. 2010. High throughput virtual screening on grids: Assessing the performance of APST for variable granularity tasks Open Access Bioinformatics, 2, 41-53

    Leo Ghemtio, Leroux V, Souchet M, Devignes MD, Smaïl-Tabbone M, Maigret B. 2009. Comparison of virtual screening pre-processing filters: application to the identification of putative LXR β-regulators Journal of Chemical Information and Modeling, 50 (5), 701-715

    Beautrait A, Leroux V, Chavent M, Leo Ghemtio, Devignes MD, Smail-Tabbone M, Cai W, Shao X, Moreau G, Bladon P. et al. 2008. Multiple-step virtual screening using VSM-G: overview and validation of fast geometrical matching enrichment Journal of Molecular Modeling, 4 (2), 135-148

    B) Review article, Literature review, Systematic review

    Leo Ghemtio, Violeta I. Pérez-Nueno, Vincent Leroux, Yasmine Asses, Michel Souchet, Lazaros Mavridis, Bernard Maigret and David W. Ritchie. 2012. Recent Trends and Applications in 3D Virtual Screening. Combinatorial Chemistry & High Throughput Screening, 15 (9), 749-769

    C) Book section, chapters in research books

    Leo Ghemtio, YueZhou Zhang and Henri Xhaard. 2011. CoMFA/CoMSIA and Pharmacophore Modelling as a Powerful Tools for Efficient Virtual Screening: Application to anti-leishmanial betulin derivatives. Virtual Screening, Mutasem O. Taha (Ed), ISBN : 979-953-307-358-2, InTech

    D) Conference proceedings

    Ghemtio Leo, Maigret B, Smaïl-Tabbone M, Souchet M, Devignes MD. 2009. A KDD Approach for designing filtering strategies to improve Virtual Screening International Conference on Knowledge Discovery and Information Retrieval

    Ghemtio Leo, Bresso E, Souchet M, Maigret B, Smaïl-Tabbone M, Devignes MD. 2008. Model-driven data integration for mining protein-ligand and protein-protein interactions in a drug design context Journées Ouvertes Biologie Informatique Mathématiques – JOBIM

    E) Book section

    Ghemtio Leo. Simulation numérique et innovation thérapeutique: Approche orientée connaissance pour la découverte de nouvelles molécules thérapeutiques. Paperback: 92 pages. Publisher: Editions universitaires europeennes (9 July 2012). Language: French. ISBN-10: 3841788793

    F) Doctoral dissertation (monograph)

    Numeric Simulation and Knowledge-Oriented Approach for the Discovery of New Therapeutic. 2010 . University of Nancy, France