WEST LAFAYETTE, Ind. — The shared culprit in a slew of diseases — cancers, neurodegenerative diseases, diabetes — is molecules our cells have made incorrectly. Think of them as proteins gone wrong.

An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin has introduced CGSchNet, a machine-learned coarse-grained (CG) model that can ...