Physics-based simulations and AI models offer complementary views of biomolecular recognition. Our new Perspective with @lab-colombo.bsky.social discusses strengths, limitations, and challenges of integrating them: see doi.org/10.1021/acs..... Thanks to
@pubs.acs.org and University of Cagliari.
doi.org
Predicting Biomolecular Interactions in the Next Decade: Physics-Based Methods Meet AI-Driven Approaches
The quantitative prediction of biomolecular recognition is crucial to molecular science. The challenge is not merely structural determination but the prediction of (thermo)dynamic and kinetic observab...
