Rui Ribeiro is a computational chemist and scientific researcher with eight years of experience applying molecular modeling, cheminformatics, and machine learning to drug discovery. Based at the University of Verona, he has led structure-based programs that combined large-scale virtual screening (5-million-compound campaigns) and microsecond molecular dynamics to advance inhibitors for challenging proteases like granzyme K and cathepsin E. His work bridges predictive ML for protein–ligand affinity and practical medicinal chemistry, guiding synthesis and testing of dozens of analogues from in silico hypotheses. Previously a postdoc at Forschungszentrum Jülich, he developed open-source GPCR toolkits and integrated ML classifiers with docking to validate novel GPCR chemotypes. He teaches interdisciplinary data-analysis courses for PhD researchers, emphasizing rigorous evaluation and real-world generalisation beyond benchmark scores. Notably, his pipeline couples high-throughput GPU docking with detailed MD to turn computational hits into experimentally actionable leads.
8 years of coding experience
3 years of employment as a software developer
Doctor of Philosophy - PhD, Biotechnology - Computational Biochemistry, Doctor of Philosophy - PhD, Biotechnology - Computational Biochemistry at Università degli Studi di Verona
Master's degree, Biochemistry, Master's degree, Biochemistry at Universidade do Porto
Contributions:2 releases, 11 pushes, 1 tag in 2 years
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Rui Ribeiro - Scientific Researcher at University of Verona