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GPU accelerated implementation of NCI calculations using promolecular densityJournal of Computational Chemistry, 2017, 38 (14), pp.1071-1083. ⟨10.1002/jcc.24786⟩
Journal articles
hal-01497623v1
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Parallel strategies for an inverse docking methodthe 20th European MPI Users' Group Meeting, Sep 2013, Madrid, France. ⟨10.1145/2488551.2488584⟩
Conference papers
hal-01709088v1
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Deploying a fault-tolerant computing middleware over Grid'5000: performance analysis of CONFIIT and its integration with a quantum molecular docking application4th Grid'5000 Spring School, Apr 2011, Reims, France. paper #7
Conference papers
hal-00587418v1
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Inverse docking method for new proteins targets identification: A parallel approachParallel Computing, 2015, 42, pp.48 - 59. ⟨10.1016/j.parco.2014.09.008⟩
Journal articles
hal-01709658v1
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