Publications by authors named "Didier Devaurs"

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HLA-Arena: A Customizable Environment for the Structural Modeling and Analysis of Peptide-HLA Complexes for Cancer Immunotherapy.
Dinler A Antunes, Jayvee R Abella, Sarah Hall-Swan, Didier Devaurs, Anja Conev, Mark Moll, Gregory Lizée, Lydia E Kavraki

JCO Clin Cancer Inform· July 2020

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MoleQCage: Geometric High-Throughput Screening for Molecular Caging Prediction.
Alexander Kravberg, Didier Devaurs, Anastasiia Varava, Lydia E Kavraki, Danica Kragic

J Chem Inf Model· December 2024

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EnGens: a computational framework for generation and analysis of representative protein conformational ensembles.
Anja Conev, Mauricio Menegatti Rigo, Didier Devaurs, André Faustino Fonseca, Hussain Kalavadwala

Brief Bioinform· July 2023

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EnGens: a computational framework for generation and analysis of representative protein conformational ensembles.
Anja Conev, Mauricio Menagatti Rigo, Didier Devaurs, André Faustino Fonseca, Hussain Kalavadwala

bioRxiv· April 2023

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3pHLA-score improves structure-based peptide-HLA binding affinity prediction.
Anja Conev, Didier Devaurs, Mauricio Menegatti Rigo, Dinler Amaral Antunes, Lydia E Kavraki

Sci Rep· June 2022

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Computational Modeling of Molecular Structures Guided by Hydrogen-Exchange Data.
Didier Devaurs, Dinler A Antunes, Antoni J Borysik

J Am Soc Mass Spectrom· February 2022

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DINC-COVID: A webserver for ensemble docking with flexible SARS-CoV-2 proteins.
Sarah Hall-Swan, Didier Devaurs, Mauricio M Rigo, Dinler A Antunes, Lydia E Kavraki

Comput Biol Med· December 2021

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DINC-COVID: A webserver for ensemble docking with flexible SARS-CoV-2 proteins.
Sarah Hall-Swan, Dinler A Antunes, Didier Devaurs, Mauricio M Rigo, Lydia E Kavraki

bioRxiv· January 2021

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Computational analysis of complement inhibitor compstatin using molecular dynamics.
Didier Devaurs, Dinler A Antunes, Lydia E Kavraki

J Mol Model· August 2020

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A Robotics-Inspired Screening Algorithm for Molecular Caging Prediction.
Oleksandr Kravchenko, Anastasiia Varava, Florian T Pokorny, Didier Devaurs, Lydia E Kavraki

J Chem Inf Model· March 2020

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Using parallelized incremental meta-docking can solve the conformational sampling issue when docking large ligands to proteins.
Didier Devaurs, Dinler A Antunes, Sarah Hall-Swan, Nicole Mitchell, Mark Moll

BMC Mol Cell Biol· September 2019

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Structure-based Methods for Binding Mode and Binding Affinity Prediction for Peptide-MHC Complexes.
Dinler A Antunes, Jayvee R Abella, Didier Devaurs, Maurício M Rigo, Lydia E Kavraki

Curr Top Med Chem· March 2019

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Revealing Unknown Protein Structures Using Computational Conformational Sampling Guided by Experimental Hydrogen-Exchange Data.
Didier Devaurs, Dinler A Antunes, Lydia E Kavraki

Int J Mol Sci· October 2018

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General Prediction of Peptide-MHC Binding Modes Using Incremental Docking: A Proof of Concept.
Dinler A Antunes, Didier Devaurs, Mark Moll, Gregory Lizée, Lydia E Kavraki

Sci Rep· March 2018

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Native State of Complement Protein C3d Analysed via Hydrogen Exchange and Conformational Sampling.
Didier Devaurs, Malvina Papanastasiou, Dinler A Antunes, Jayvee R Abella, Mark Moll

Int J Comput Biol Drug Des· March 2018

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DINC 2.0: A New Protein-Peptide Docking Webserver Using an Incremental Approach.
Dinler A Antunes, Mark Moll, Didier Devaurs, Kyle R Jackson, Gregory Lizée

Cancer Res· November 2017

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Coarse-Grained Conformational Sampling of Protein Structure Improves the Fit to Experimental Hydrogen-Exchange Data.
Didier Devaurs, Dinler A Antunes, Malvina Papanastasiou, Mark Moll, Daniel Ricklin

Front Mol Biosci· March 2017

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Defining Low-Dimensional Projections to Guide Protein Conformational Sampling.
Anastasia Novinskaya, Didier Devaurs, Mark Moll, Lydia E Kavraki

J Comput Biol· January 2017

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Understanding the challenges of protein flexibility in drug design.
Dinler A Antunes, Didier Devaurs, Lydia E Kavraki

Expert Opin Drug Discov· December 2015

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Characterizing Energy Landscapes of Peptides Using a Combination of Stochastic Algorithms.
Didier Devaurs, Kevin Molloy, Marc Vaisset, Amarda Shehu, Thierry Siméon

IEEE Trans Nanobioscience· July 2015

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MoMA-LigPath: a web server to simulate protein-ligand unbinding.
Didier Devaurs, Léa Bouard, Marc Vaisset, Christophe Zanon, Ibrahim Al-Bluwi

Nucleic Acids Res· July 2013

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An individual-based evolving predator-prey ecosystem simulation using a fuzzy cognitive map as the behavior model.
Robin Gras, Didier Devaurs, Adrianna Wozniak, Adam Aspinall

Artif Life· October 2009

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