Laurent E. Dardenne

Netherlands Aerospace Centre — Netherlands

Computer Science · Physical Sciences

23h-index2.8kcitations91works4.92yr avg
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Research Topics

Computational Drug Discovery Methods(40), Protein Structure and Dynamics(20), Cholinesterase and Neurodegenerative Diseases(14), Machine Learning in Materials Science(7), Advanced Multi-Objective Optimization Algorithms(6)

Publications90 total

Grandes desafios: projeto de novos antibióticos é selecionado para consórcio global patrocinado pela Fundação Gates
2025
Novel Multifunctional Cannabidiol-Based Analogues with In Silico, In Vitro, and In Vivo Anti-SARS-CoV-2 Effect
Pharmaceuticals·2025Open Access
Evaluation of novel selective MAO-B inhibitors using immobilized enzymes on magnetic beads
Journal of Pharmaceutical and Biomedical Analysis·2025
Data-centric training enables meaningful interaction learning in protein–ligand binding affinity prediction
2025· 1 cited
Data-centric training enables meaningful interaction learning in protein–ligand binding affi nity prediction
2025Open Access
New cannabidiol structure-related terpene <i>N</i> -acyl-hydrazones with potent antinociceptive and anti-inflammatory activity
Future Medicinal Chemistry·2025· 3 cited
Design, Synthesis, and Evaluation of Antinociceptive Properties of Novel CBD-Based Terpene-Cinnamoyl-Acyl-Hydrazone Analogues
Pharmaceuticals·2025· 2 citedOpen Access
Novel multifunctional Cannabidiol-Based Analogues with In Silico, In Vitro, and In vivo anti-SARS-COV-2 effect
2025Open Access
Efficient Deployment of a 685B-Parameter Open-Source LLM on the Brazilian Santos Dumont Supercomputer
2025Open Access
Design, Synthesis, and Evaluation of Antinociceptive Properties of Novel CBD-Based Terpene-Cinnamoyl-Acyl-Hydrazone Analogues
Preprints.org·2025Open Access
Methodological Approach Based on Structural Parameters, Vibrational Frequencies, and MMFF94 Bond Charge Increments for Platinum-Based Compounds
ACS Omega·2025· 1 citedOpen Access
A Generative Evolutionary Many-Objective Framework: A Case Study in Antimicrobial Agent Design
Proceedings of the Genetic and Evolutionary Computation Conference Companion·2024
DockThor-VS: A Free Platform for Receptor-Ligand Virtual Screening
Journal of Molecular Biology·2024· 65 cited
Deep Learning Strategies for Enhanced Molecular Docking and Virtual Screening
Computer-aided drug discovery and design·2024· 2 cited
Integrating Computational Approaches from Non-synonymous Sequence Variations to Molecular Structure for Drug Repositioning Targeting the SARS-CoV-2 Spike Protein
Computer-aided drug discovery and design·2024
Multi-and many-objective optimization: present and future in de novo drug design
Frontiers in Chemistry·2023· 21 citedOpen Access
Deep Learning-Ready Voxel Representation of Protein-Ligand Complexes from an Enhanced PBDbind v.2020 Dataset
2023· 1 citedOpen Access
Deep Learning-Ready Voxel Representation of Protein-Ligand Complexes from an Enhanced PBDbind v.2020 Dataset
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Deep Learning-Ready Voxel Representation of Protein-Ligand Complexes from an Enhanced PBDbind v.2020 Dataset
Zenodo (CERN European Organization for Nuclear Research)·2023· 1 citedOpen Access
Deep Learning Strategies for Enhanced Molecular Docking and Virtual Screening
2023· 1 citedOpen Access
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Frequent Co-authors

Isabella Alvim Guedes(25), Hélio J. C. Barbosa(12), Fábio Lima Custódio(9), Ana L. M. Karl(6), Letizia Pruccoli(6), Andrea Tarozzi(6), Cláudio Viegas(6), Marco Antônio Ceschi(6), Camila S. de Magalhães(5), Newton G. Castro(5), João Paulo Bizarro Lopes(5), Karina B. Santos(4), Eduardo Krempser(4), Marcos Jorge R. Guimarães(4), Fernanda Motta R. da Silva(4), Matheus de Freitas Silva(4), Marcelo Galheigo(3), Marisa Nicolás(3), Fabiana C. Vilela(3), Alexandre Giusti‐Paiva(3)