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Author Details

Bernard Maigret
Universite de Lorraine, CNRS
1970
141
38
Andrej Sali (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
35196960Identification of new putative inhibitors of <i>Mycobacterium tuberculosis</i> 3-dehydroshikimate dehydratase from a combination of ligand- and structure-based and deep learning <i>in silico</i> approaches.J Biomol Struct Dyn2023
36871056Molecular-evaluated and explainable drug repurposing for COVID-19 using ensemble knowledge graph embedding.Sci Rep2023
36844150A new class of peptides from wasp venom: a pathway to antiepileptic/neuroprotective drugs.Brain Commun2023
35196960Identification of new putative inhibitors of <i>Mycobacterium tuberculosis</i> 3-dehydroshikimate dehydratase from a combination of ligand- and structure-based and deep learning <i>in silico</i> approaches.J Biomol Struct Dyn2023
36844150A new class of peptides from wasp venom: a pathway to antiepileptic/neuroprotective drugs.Brain Commun2023
36871056Molecular-evaluated and explainable drug repurposing for COVID-19 using ensemble knowledge graph embedding.Sci Rep2023
35754360Singular Interface Dynamics of the SARS-CoV-2 Delta Variant Explained with Contact Perturbation Analysis.J Chem Inf Model2022
35458779Computational Strategy for Minimizing Mycotoxins in Cereal Crops: Assessment of the Biological Activity of Compounds Resulting from Virtual Screening.Molecules2022
35754360Singular Interface Dynamics of the SARS-CoV-2 Delta Variant Explained with Contact Perturbation Analysis.J Chem Inf Model2022
35458779Computational Strategy for Minimizing Mycotoxins in Cereal Crops: Assessment of the Biological Activity of Compounds Resulting from Virtual Screening.Molecules2022
32955085Structural insight into the catalytic mechanism and inhibitor binding of aminopeptidase A.Biochem J2020
32093126Large-Scale Virtual Screening Against the MET Kinase Domain Identifies a New Putative Inhibitor Type.Molecules2020
32955085Structural insight into the catalytic mechanism and inhibitor binding of aminopeptidase A.Biochem J2020
32093126Large-Scale Virtual Screening Against the MET Kinase Domain Identifies a New Putative Inhibitor Type.Molecules2020
30496872Repurposing approach identifies new treatment options for invasive fungal disease.Bioorg Chem2019
31572335Two New 1,3,4-Oxadiazoles With Effective Antifungal Activity Against <i>Candida albicans</i>.Front Microbiol2019
31612567Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment.Proteins2019
31659577Selection of potential anti-adhesion drugs by in silico approaches targeted to ALS3 from Candida albicans.Biotechnol Lett2019
31652525A Chemosensory GPCR as a Potential Target to Control the Root-Knot Nematode <i>Meloidogyne incognita</i> Parasitism in Plants.Molecules2019
30496872Repurposing approach identifies new treatment options for invasive fungal disease.Bioorg Chem2019
31073337Characterization of a relaxase belonging to the MOB<sub>T</sub> family, a widespread family in Firmicutes mediating the transfer of ICEs.Mob DNA2019
31163021Antifungal activity of two oxadiazole compounds for the paracoccidioidomycosis treatment.PLoS Negl Trop Dis2019
31659577Selection of potential anti-adhesion drugs by in silico approaches targeted to ALS3 from Candida albicans.Biotechnol Lett2019
31652525A Chemosensory GPCR as a Potential Target to Control the Root-Knot Nematode <i>Meloidogyne incognita</i> Parasitism in Plants.Molecules2019
31612567Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment.Proteins2019
31572335Two New 1,3,4-Oxadiazoles With Effective Antifungal Activity Against <i>Candida albicans</i>.Front Microbiol2019
31073337Characterization of a relaxase belonging to the MOB<sub>T</sub> family, a widespread family in Firmicutes mediating the transfer of ICEs.Mob DNA2019
31163021Antifungal activity of two oxadiazole compounds for the paracoccidioidomycosis treatment.PLoS Negl Trop Dis2019
27701764Modeling and minimizing CAPRI round 30 symmetrical protein complexes from CASP-11 structural models.Proteins2017
28877217Involvement of arginine 878 together with Ca2+ in mouse aminopeptidase A substrate specificity for N-terminal acidic amino-acid residues.PLoS One2017
27701764Modeling and minimizing CAPRI round 30 symmetrical protein complexes from CASP-11 structural models.Proteins2017
28877217Involvement of arginine 878 together with Ca2+ in mouse aminopeptidase A substrate specificity for N-terminal acidic amino-acid residues.PLoS One2017
27324634Structure-based virtual screening of hypothetical inhibitors of the enzyme longiborneol synthase-a potential target to reduce Fusarium head blight disease.J Mol Model2016
27324634Structure-based virtual screening of hypothetical inhibitors of the enzyme longiborneol synthase-a potential target to reduce Fusarium head blight disease.J Mol Model2016
27122118Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment.Proteins2016
28105916GPCRs from fusarium graminearum detection, modeling and virtual screening - the search for new routes to control head blight disease.BMC Bioinformatics2016
27622745Carbohydrate-based peptidomimetics targeting neuropilin-1: Synthesis, molecular docking study and in vitro biological activities.Bioorg Med Chem2016
27770305Identification of novel Trypanosoma cruzi prolyl oligopeptidase inhibitors by structure-based virtual screening.J Comput Aided Mol Des2016
28105916GPCRs from fusarium graminearum detection, modeling and virtual screening - the search for new routes to control head blight disease.BMC Bioinformatics2016
27770305Identification of novel Trypanosoma cruzi prolyl oligopeptidase inhibitors by structure-based virtual screening.J Comput Aided Mol Des2016
27622745Carbohydrate-based peptidomimetics targeting neuropilin-1: Synthesis, molecular docking study and in vitro biological activities.Bioorg Med Chem2016
27122118Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment.Proteins2016
25359495New structural insights into the apelin receptor: identification of key residues for apelin binding.FASEB J2015
25359495New structural insights into the apelin receptor: identification of key residues for apelin binding.FASEB J2015
26569405Identification of New Antifungal Compounds Targeting Thioredoxin Reductase of Paracoccidioides Genus.PLoS One2015
26569405Identification of New Antifungal Compounds Targeting Thioredoxin Reductase of Paracoccidioides Genus.PLoS One2015
23467019Benchmarking of HPCC: A novel 3D molecular representation combining shape and pharmacophoric descriptors for efficient molecular similarity assessments.J Mol Graph Model2013
23991109New binding site conformations of the dengue virus NS3 protease accessed by molecular dynamics simulation.PLoS One2013
23467019Benchmarking of HPCC: A novel 3D molecular representation combining shape and pharmacophoric descriptors for efficient molecular similarity assessments.J Mol Graph Model2013
23991109New binding site conformations of the dengue virus NS3 protease accessed by molecular dynamics simulation.PLoS One2013
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Collaborators

Universite de Lorraine, CNRS
Co-authored papers 8
Universite de Lorraine, CNRS
Co-authored papers 6
Co-authored papers 5
Co-authored papers 3
University Grenoble Alpes, CNRS
Co-authored papers 3
Co-authored papers 3
Co-authored papers 3
Weill Cornell Medical College
Co-authored papers 2
Pontificia Universidad Javeriana
Co-authored papers 2
European Bioinformatics Institute
Co-authored papers 2
Seoul National University
Co-authored papers 2
Francis Crick Institute
Co-authored papers 2
Huazhong University of Science and Technology
Co-authored papers 2
Purdue University
Co-authored papers 2
University of Maryland Institute for Bioscience and Biotechnology Research
Co-authored papers 2
Oncode Institute & Hubrecht Institute-KNAW and University Medical Center Utrecht
Co-authored papers 2
Visterra Inc.
Co-authored papers 2
Dalton Cardiovascular Research Center, University of Missouri
Co-authored papers 2
Utrecht University
Co-authored papers 2
The University of Kansas
Co-authored papers 2
Utrecht University
Co-authored papers 2
Perelman School of Medicine, University of Pennsylvania
Co-authored papers 2
GSK Medicines Research Centre
Co-authored papers 2
Boston University
Co-authored papers 2
Dalton Cardiovascular Research Center, University of Missouri
Co-authored papers 2
University of Massachusetts Medical School
Co-authored papers 2
University of Mauritius
Co-authored papers 2
VIB-VUB Center for Structural Biology
Co-authored papers 2
The University of Kansas
Co-authored papers 2
University of Massachusetts Medical School
Co-authored papers 2