Well, making the whole AI diagnosis into several smaller processes, each one functioning as a control step, seems more trustworthy at least to human specialists. And yes, medical doctors can be trained to interpret each AI stage and still rely on the final AI and doctor diagnosis.

Beautiful dynamic matching of protein complexes and their interfaces. I wonder if having a more flexible model for proteins that enables some conformational changes like GōMartini 3 can enable to see other bindings events. Safe to say that EN is the first approach for such binding processes.

Congrats for the award and for pushing boundaries in molecular simulations !!!

Totally agree! Transient contacts cane help to understand such complex problem.