Vanneshi, LeonardoGal, MaayanLisboa Maia Correia Rodrigues, Luísa2025-04-092025-04-092024-07-22http://hdl.handle.net/10362/181980"Polymorphic toxins, such as PT8 from the Leptospiraceae family, play a significant role in mi crobial competition and have potential applications in biotechnology. However, their toxicity often limits their utility in practical applications. This thesis presents a novel approach to opti mizing the PT8 polymorphic toxin for biotechnological use through the use of genetic algo rithms (GAs) and machine learning models to reduce its inherent toxicity while maintaining functional integrity. In this study, we first analyzed the structure and dynamics of PT8 using state-of-the-art protein structure prediction tools like AlphaFold, RosettaFold, and ESMFold, coupled with molecular dynamics simulations. These analyses revealed several key regions within PT8 that contribute to its stability and function but also underlie its toxicity(...)"engPT8biotechnologygenetic algorithmsPolymorphic toxinsmicrobial competition,master thesis203774698