Molecular-evaluated and explainable drug repurposing for COVID-19 using ensemble knowledge graph embedding
Islam, Md Kamrul, Amaya-Ramirez, Diego, Maigret, Bernard, Devignes, Marie-Dominique, Aridhi, Sabeur, Smaïl-Tabbone, Malika
Published in Scientific reports (04.03.2023)
Published in Scientific reports (04.03.2023)
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Journal Article
Computational Strategy for Minimizing Mycotoxins in Cereal Crops: Assessment of the Biological Activity of Compounds Resulting from Virtual Screening
Atanasova, Vessela, Bresso, Emmanuel, Maigret, Bernard, Martins, Natalia Florencio, Richard-Forget, Florence
Published in Molecules (Basel, Switzerland) (16.04.2022)
Published in Molecules (Basel, Switzerland) (16.04.2022)
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Journal Article
Fungi Tryptophan Synthases: What Is the Role of the Linker Connecting the α and β Structural Domains in Hemileia vastatrix TRPS? A Molecular Dynamics Investigation
Martins, Natália F, Viana, Marcos J A, Maigret, Bernard
Published in Molecules (Basel, Switzerland) (06.02.2024)
Published in Molecules (Basel, Switzerland) (06.02.2024)
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Journal Article
Large-Scale Virtual Screening Against the MET Kinase Domain Identifies a New Putative Inhibitor Type
Bresso, Emmanuel, Furlan, Alessandro, Noel, Philippe, Leroux, Vincent, Maina, Flavio, Dono, Rosanna, Maigret, Bernard
Published in Molecules (Basel, Switzerland) (19.02.2020)
Published in Molecules (Basel, Switzerland) (19.02.2020)
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Journal Article
Involvement of arginine 878 together with Ca2+ in mouse aminopeptidase A substrate specificity for N-terminal acidic amino-acid residues
Couvineau, Pierre, de Almeida, Hugo, Maigret, Bernard, Llorens-Cortes, Catherine, Iturrioz, Xavier
Published in PloS one (06.09.2017)
Published in PloS one (06.09.2017)
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Journal Article
Identification of New Antifungal Compounds Targeting Thioredoxin Reductase of Paracoccidioides Genus
Abadio, Ana Karina Rodrigues, Kioshima, Erika Seki, Leroux, Vincent, Martins, Natalia Florêncio, Maigret, Bernard, Felipe, Maria Sueli Soares
Published in PloS one (16.11.2015)
Published in PloS one (16.11.2015)
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Journal Article
A Chemosensory GPCR as a Potential Target to Control the Root-Knot Nematode Meloidogyne incognita Parasitism in Plants
Bresso, Emmanuel, Fernandez, Diana, Amora, Deisy X, Noel, Philippe, Petitot, Anne-Sophie, de Sa, Maria-Eugênia Lisei, Albuquerque, Erika V S, Danchin, Etienne G J, Maigret, Bernard, Martins, Natália F
Published in Molecules (Basel, Switzerland) (22.10.2019)
Published in Molecules (Basel, Switzerland) (22.10.2019)
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Journal Article
Two New 1,3,4-Oxadiazoles With Effective Antifungal Activity Against Candida albicans
Capoci, Isis Regina Grenier, Sakita, Karina Mayumi, Faria, Daniella Renata, Rodrigues-Vendramini, Franciele Abigail Vilugron, Arita, Glaucia Sayuri, de Oliveira, Admilton Gonçalves, Felipe, Maria Sueli, Maigret, Bernard, Bonfim-Mendonça, Patricia de Souza, Kioshima, Erika Seki, Svidzinski, Terezinha Inez Estivalet
Published in Frontiers in microbiology (12.09.2019)
Published in Frontiers in microbiology (12.09.2019)
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Journal Article
Antifungal activity of two oxadiazole compounds for the paracoccidioidomycosis treatment
Rodrigues-Vendramini, Franciele Abigail Vilugron, Faria, Daniella Renata, Arita, Glaucia Sayuri, Capoci, Isis Regina Grenier, Sakita, Karina Mayumi, Caparroz-Assef, Silvana Martins, Becker, Tania Cristina Alexandrino, de Souza Bonfim-Mendonça, Patrícia, Felipe, Maria Sueli, Svidzinski, Terezinha Inez Estivalet, Maigret, Bernard, Kioshima, Érika Seki
Published in PLoS neglected tropical diseases (01.06.2019)
Published in PLoS neglected tropical diseases (01.06.2019)
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Journal Article
Modeling and minimizing CAPRI round 30 symmetrical protein complexes from CASP‐11 structural models
El Houasli, Marwa, Maigret, Bernard, Devignes, Marie‐Dominique, Ghoorah, Anisah W., Grudinin, Sergei, Ritchie, David W.
Published in Proteins, structure, function, and bioinformatics (01.03.2017)
Published in Proteins, structure, function, and bioinformatics (01.03.2017)
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Journal Article
Characterization of a relaxase belonging to the MOBT family, a widespread family in Firmicutes mediating the transfer of ICEs
Soler, Nicolas, Robert, Emilie, Chauvot de Beauchêne, Isaure, Monteiro, Philippe, Libante, Virginie, Maigret, Bernard, Staub, Johan, Ritchie, David W, Guédon, Gérard, Payot, Sophie, Devignes, Marie-Dominique, Leblond-Bourget, Nathalie
Published in Mobile DNA (03.05.2019)
Published in Mobile DNA (03.05.2019)
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Journal Article
Role of the Sortase A in the Release of Cell-Wall Proteinase PrtS in the Growth Medium of Streptococcus thermophilus 4F44
Awussi, Ahoefa Ablavi, Roux, Emeline, Humeau, Catherine, Hafeez, Zeeshan, Maigret, Bernard, Chang, Oun Ki, Lecomte, Xavier, Humbert, Gérard, Miclo, Laurent, Genay, Magali, Perrin, Clarisse, Dary-Mourot, Annie
Published in Microorganisms (Basel) (18.11.2021)
Published in Microorganisms (Basel) (18.11.2021)
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Journal Article
Combined docking and molecular dynamics simulations to enlighten the capacity of Pseudomonas cepacia and Candida antarctica lipases to catalyze quercetin acetylation
Christelle, Bidouil, Eduardo, Basilio De Oliveira, Latifa, Chebil, Elaine-Rose, Maia, Bernard, Maigret, Evelyne, Ronat-Heidt, Mohamed, Ghoul, Jean-Marc, Engasser, Catherine, Humeau
Published in Journal of biotechnology (10.12.2011)
Published in Journal of biotechnology (10.12.2011)
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Journal Article
Molecular Dynamics Simulation of Li+BF4 - in Ethylene Carbonate, Propylene Carbonate, and Dimethyl Carbonate Solvents
Soetens, Jean-Christophe, Millot, Claude, Maigret, Bernard
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.02.1998)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.02.1998)
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Journal Article
Recent trends and applications in 3D virtual screening
Ghemtio, Leo, Perez-Nueno, Violeta I, Leroux, Vincent, Asses, Yasmine, Souchet, Michel, Mavridis, Lazaros, Maigret, Bernard, Ritchie, David W
Published in Combinatorial chemistry & high throughput screening (01.11.2012)
Published in Combinatorial chemistry & high throughput screening (01.11.2012)
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Journal Article
Ammonia channeling in bacterial glucosamine-6-phosphate synthase (Glms): Molecular dynamics simulations and kinetic studies of protein mutants
Floquet, Nicolas, Mouilleron, Stéphane, Daher, Rasha, Maigret, Bernard, Badet, Bernard, Badet-Denisot, Marie-Ange
Published in FEBS letters (26.06.2007)
Published in FEBS letters (26.06.2007)
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Journal Article