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Coarse-Grained Conformational Sampling of Protein Structure Improves the Fit to Experimental Hydrogen-Exchange Data.Understanding the challenges of protein flexibility in drug design.An individual-based evolving predator-prey ecosystem simulation using a fuzzy cognitive map as the behavior model.DINC 2.0: A New Protein-Peptide Docking Webserver Using an Incremental Approach.Defining Low-Dimensional Projections to Guide Protein Conformational Sampling.General Prediction of Peptide-MHC Binding Modes Using Incremental Docking: A Proof of Concept.Revealing Unknown Protein Structures Using Computational Conformational Sampling Guided by Experimental Hydrogen-Exchange DataA Robotics-Inspired Screening Algorithm for Molecular Caging PredictionStructure-based Methods for Binding Mode and Binding Affinity Prediction for Peptide-MHC ComplexesUsing parallelized incremental meta-docking can solve the conformational sampling issue when docking large ligands to proteins
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description
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հետազոտող
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Didier Devaurs
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Didier Devaurs
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Didier Devaurs
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Didier Devaurs
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Didier Devaurs
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Didier Devaurs
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Didier Devaurs
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Didier Devaurs
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Didier Devaurs
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Didier Devaurs
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Didier Devaurs
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Didier Devaurs
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0000-0002-3415-9816