Constant-pH Methods in Biomolecular Simulations: Integrating Physics, Machine Learning, and Applications - Class 1

Learn about constant-pH methods in biomolecular simulations in this lecture from the ICTP-SAIFR School on Biological Physics and Biomolecular Simulations in the Machine Learning Era. Professor Fernando Barroso from FCFRP/USP, Brazil, explores how to integrate physics, machine learning, and applications in constant-pH simulation techniques. This 69-minute session serves as the first class in a series examining how pH affects biomolecular systems and the computational methods used to model these effects. Gain insights into advanced simulation approaches that account for the critical role of pH in biological processes, combining traditional physics-based methods with emerging machine learning techniques.