This seminar offers an overview of various applications of bioinformatics to ecology and molecular modeling, demonstrating how complex biological data can be transformed into useful resources, interpretable results, and new scientific hypotheses. Through examples drawn from recent research projects, approaches for analyzing omics data will be discussed, with a particular focus on transcriptomics, comparative genomics, and the functional interpretation of data from non-model organisms.
Furthermore, examples of structural modeling, docking, and molecular dynamics applied to the study of molecular interactions and potential mechanisms of action will be presented. High-performance computing (HPC) will be highlighted as a supporting tool to tackle large-scale analyses, automate complex workflows, and streamline the processing of big biological data.
Among the research lines, the seminar will also illustrate:
An innovative pipeline based on Large Language Models (LLMs) for automated knowledge extraction from prebiotic chemistry scientific literature.
The development of a computational framework for automating Umbrella Sampling workflows, aimed at calculating ligand-receptor binding free energy on HPC architectures.
A prototype genome assembly algorithm implemented on quantum computing platforms.
Jun 23rd, 2026