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This pipeline provides a way to perform pharmaceutical compounds virtual screening using similarity-based analysis, ligand-based and structure-based techniques. The pipeline contains a collections of modules to perform a variety of analysis.

License: GNU General Public License v3.0

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computer_aided_drug_discovery_kit's Introduction

Hi 👋, I'm Francesco Patanè, MSc

Me and my interests:

I obtained my bachelor degree in Biotechnology (Pharmaceutical curricula) from University of Padova, Italy; from the same i'm going to obtain my Master degree in September 2023.

I am a passionate biotechnologist living in Italy and keen on Machine learning Drug/Vaccine discovery. My plethora of interests is vast and includes fields such as molecular biology, molecular modelling, synthetic biology and bioinformatics, cancer research etc--

During my research internship (Master degree) i developed the first stand-alone reverse vaccinology pipeline designed for the discovery of vaccines against eukaryotic microbes like malaria protozoa.

I love the idea of using bioinformatic methods (and of course also AI) and wet lab activities together in order to make science more economic and fast

Ongoing projects:

👨‍🔬 eNERVE: eukaryotic New Enhanced Reverse Vaccinology Environment. Role: Principal curator;
🔬 bNERVE: bacteria New Enhanced Reverse Vaccinology Environment. Role: curator;
🦠 Codon Usage optimization for industrial applications (biocatalysisi and pharmaceuticals);
📊 Protein xAI (explainable AI/ML in protein reseach);
📚 Bionformatics tutorials: Vaccine discovery assisted by Artifical Intelligence (ML and DL);
📚 Chemoinformatics tutorials: Drug discovery assisted by CADD (ML and DL).