Materials informatics combines data analytics and engineering design, streamlining material development and enhancing performance through AI integration.
For decades, Arieh Warshel, USC Distinguished Professor of Chemistry and a 2013 Nobel laureate, has used computer simulations ...
An AI-driven computational toolkit, Gcoupler, integrates ligand design, statistical modeling, and graph neural networks to predict endogenous metabolites that allosterically modulate the GPCR–Gα ...
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