Bioinformatics Tools for Studying Protein Folding and Drug Development

Proteins’ functionality hinges not only on the specific sequence of amino acids, but also on their precise folding into a tertiary structure. When proteins misfold, they can create surfaces that interact with other biomolecules, leading to the formation of aggregates like amyloid fibrils in Alzheimer’s disease, which can be highly detrimental to the body due to their toxic effects. The presentation introduced to you advanced bioinformatics tools and machine learning algorithms that have been innovatively developed for protein folding prediction and uncovering critical patterns associated with the mechanisms underlying neurodegenerative diseases, structural biology techniques and molecular dynamics simulations, which are focused on elucidating the intricate interactions between ligands and protein residues aiming to pave the way for the development of novel compounds with promising therapeutic attributes.