Models that learn biochemistry
Workshop, University of Oviedo, 2025
Workshop titled “Modelos que aprenden bioquímica” - Models that learn biochemistry. This workshop answers the question of what artificial intelligence is and how can it be use din biochemistry. The course spans a wide range of techniques and use cases including the underlying models behind modern chatbots like ChatGPT, and how these technologies can be applied for the modelling of biosequences and small drug-like organic molecules for drug discovery. It also included AI approaches for molecular docking (mainly Diffdock) as well as Molecular Dynamics through Machine-learnt Force Fields. The workshop provided students with a complete experience including practical sessions with guided code examples where they could build their own toxicity predictors from Chemical Language Models, as well as docking antipsychotic drugs to a GPCR, and running code for the simulation of the folding of a peptide with 15 alanines as well as the corresponding analysis of the simulation. The workshop was attended both by undergraduate students from Biology and Biotechnology majors, as well as PhD students from different disciplines.