Laurent E. Dardenne

Highly Flexible Ligand Docking: Benchmarking of the DockThor Program on the LEADS-PEP Protein–Peptide Data Set

Karina B. Santos, Isabella Alvim Guedes, Ana L. M. Karl et al. · Journal of Chemical Information and Modeling · 2020 · 264 citations

New machine learning and physics-based scoring functions for drug discovery

Isabella Alvim Guedes, André M. S. Barreto, Diogo Marinho et al. · Scientific Reports · 2021 · 210 citations · Full text

Drug Target, Engineering, Machine Learning +19

A dynamic niching genetic algorithm strategy for docking highly flexible ligands

Camila S. de Magalhães, Diogo Marinho Almeida, Hélio J. C. Barbosa et al. · Information Sciences · 2014 · 187 citations

Molecular Recognition, Engineering, Molecular Biology +7

Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants

Isabella Alvim Guedes, Leon S. C. Costa, Karina B. Santos et al. · Scientific Reports · 2021 · 152 citations · Full text

Design, synthesis and evaluation of novel feruloyl-donepezil hybrids as potential multitarget drugs for the treatment of Alzheimer's disease

Kris Simone Tranches Dias, Cynthia T. de Paula, Thiago dos Santos et al. · European Journal of Medicinal Chemistry · 2017 · 80 citations · Full text

Medicinal Chemistry, Neurodegenerative Diseases, Alzheimer's Disease +9