Bernard Maigret

Centre National de la Recherche Scientifique — France

Neuroscience · Life Sciences

42h-index6.2kcitations207works2.32yr avg
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Research Topics

Neuropeptides and Animal Physiology(37), Protein Structure and Dynamics(33), Computational Drug Discovery Methods(26), Receptor Mechanisms and Signaling(26), Chemical Synthesis and Analysis(19)

Publications207 total

Subtle Changes at the RBD/hACE2 Interface During SARS-CoV-2 Variant Evolution: A Molecular Dynamics Study
Biomolecules·2025Open Access
Stoichiometric Insights into SARS-CoV-2 Spike–ACE2 Binding Across Variants
2025Open Access
1,3,4-oxadiazoles with effective anti-mycobacterial activity
Letters in Applied Microbiology·2025· 4 cited
Rational design and synthesis of pyrazole derivatives as potential SARS-CoV-2 Mpro inhibitors: An integrated approach merging combinatorial chemistry, molecular docking, and deep learning
Bioorganic & Medicinal Chemistry·2025· 6 cited
Stoichiometric insights into SARS-CoV-2 spike–ACE2 binding across variants
Computational and Structural Biotechnology Journal·2025· 1 citedOpen Access
Subtle changes at the RBD/hACE2 interface during SARS-CoV2 variant evolution: a molecular dynamics study
2024Open Access
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
Molecules·2024· 5 citedOpen Access
Structure-based drug design of multi-targeting inhibitors of human pathogen fungi
Journal of Molecular Structure·2023· 6 cited
Molecular-evaluated and explainable drug repurposing for COVID-19 using ensemble knowledge graph embedding
Scientific Reports·2023· 23 citedOpen Access
A new class of peptides from wasp venom: a pathway to antiepileptic/neuroprotective drugs
Brain Communications·2022· 7 citedOpen Access
Singular Interface Dynamics of the SARS-CoV-2 Delta Variant Explained with Contact Perturbation Analysis
Journal of Chemical Information and Modeling·2022· 12 citedOpen Access
Computational Strategy for Minimizing Mycotoxins in Cereal Crops: Assessment of the Biological Activity of Compounds Resulting from Virtual Screening
Molecules·2022· 2 citedOpen Access
Identification 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
Journal of Biomolecular Structure and Dynamics·2022· 5 cited
Role of the Sortase A in the Release of Cell-Wall Proteinase PrtS in the Growth Medium of Streptococcus thermophilus 4F44
Microorganisms·2021· 3 citedOpen Access
Structural insight into the catalytic mechanism and inhibitor binding of aminopeptidase A
Biochemical Journal·2020· 1 citedOpen Access
Chemoinformatics approaches to help antibacterial discovery
SPIRE - Sciences Po Institutional REpository·2020
Large-Scale Virtual Screening Against the MET Kinase Domain Identifies a New Putative Inhibitor Type
Molecules·2020· 12 citedOpen Access
Searching in Silico Novel Targets for Specific Coffee Rust Disease Control
Lecture notes in computer science·2020· 1 cited
Selection of potential anti-adhesion drugs by in silico approaches targeted to ALS3 from Candida albicans
Biotechnology Letters·2019· 16 cited
A Chemosensory GPCR as a Potential Target to Control the Root-Knot Nematode Meloidogyne incognita Parasitism in Plants
Molecules·2019· 24 citedOpen Access
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Frequent Co-authors

Chantal Escrieut(9), Daniel Fourmy(9), Luis Moroder(7), Xavier Iturrioz(5), Catherine Llorens‐Cortés(5), Véronique Gigoux(5), Sandrine Silvente‐Poirot(5), Lucien Pradayrol(4), Vincent Leroux(4), David Pérahia(4), Jean‐Alain Fehrentz(4), Jean Martínez(4), Nicole Vaysse(4), Claude Millot(3), Harold A. Scheraga(3), Elodie Archer(3), Rodrigo Alvear‐Perez(3), Romain Gerbier(3), Christophe Chipot(3), Bernard Pullman(3)