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Journal of Cheminformatics|June 17, 2026
Learning a chemistry-aware latent space for molecular encoding and generation with a large-scale transformer variational autoencoderHugo Talibart, Dimitri GilisJournal of Chemical Information and Modeling|May 23, 2006
In silico analysis of the thermodynamic stability changes of psychrophilic and mesophilic alpha-amylases upon exhaustive single-site mutationsDimitri GilisBMC Bioinformatics|June 11, 2021
PPalign: optimal alignment of Potts models representing proteins with direct coupling informationHugo Talibart, François CosteTrends in Plant Science|March 12, 2018
The Hidden Face of RubiscoMathieu Pottier, Dimitri Gilis, Marc BoutryBiophysical Journal|July 9, 2004
Database-derived potentials dependent on protein size for in silico folding and designYves Dehouck, Dimitri Gilis, Marianne RoomanPeerj|March 29, 2019
Estimating probabilistic context-free grammars for proteins using contact map constraintsWitold Dyrka, Mateusz Pyzik, François Coste, et al.Proteins|October 4, 2007
Mn/Fe superoxide dismutase interaction fingerprints and prediction of oligomerization and metal cofactor from sequenceRené Wintjens, Dimitri Gilis, Marianne RoomanProteins|November 18, 2015
Stability strengths and weaknesses in protein structures detected by statistical potentials: Application to bovine seminal ribonucleaseMarie De Laet, Dimitri Gilis, Marianne RoomanJournal of Biomolecular Structure & Dynamics|December 19, 2017
Rational antibiotic design: in silico structural comparison of the functional cavities of penicillin-binding proteins and ß-lactamasesMame Ndew Mbaye, Dimitri Gilis, Marianne RoomanBMC Bioinformatics|June 4, 2008
SODa: an Mn/Fe superoxide dismutase prediction and design serverJean Marc Kwasigroch, René Wintjens, Dimitri Gilis, et al.Pageof 3