Constant-pH Methods in Biomolecular Simulations: Integrating Physics, Machine Learning, and Applications - Class 3

Explore the third class of a lecture series on constant-pH methods in biomolecular simulations presented by Fernando Barroso from FCFRP/USP, Brazil, as part of the ICTP-SAIFR School on Biological Physics and Biomolecular Simulations in the Machine Learning Era (April 14-19, 2025). Delve into how constant-pH methodologies integrate physics, machine learning, and practical applications to advance biomolecular simulation techniques. This one-hour lecture continues the exploration of how pH conditions affect biomolecular systems and the computational approaches used to model these effects accurately.