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cs.LG2026
Blending experimental electron density information to protein-ligand interaction
Seonghyun Park, Shuan Chen, Jun Jin Choong +6
Machine learning models for protein-ligand interactions commonly rely on atomic coordinates, which are constructed by fitting molecular models to experimental electron-density maps…
cs.LG2026
Leveraging Biokinetic Knowledge Priors for Data-Scarce Bioprocess Modeling
Kyunghoon Hur, Eunjung Jeon, Hyun Woo Kim +2
While deep learning has accelerated drug discovery, its impact on biomanufacturing has been considerably more limited. The reason is data scarcity. Bioreactor experiments are high-…