2 papers
physics.chem-ph2026
Extending machine learning model for implicit solvation to free energy calculations
Rishabh Dey, Michael Brocidiacono, Kushal Koirala +2
The implicit solvent approach offers a computationally efficient framework to model solvation effects in molecular simulations. However, its accuracy often falls short compared to…
q-bio.OT2025
Improving Biomedical Knowledge Graph Quality: A Community Approach
Katherina G Cortes, Shilpa Sundar, Sarah Gehrke +13
Biomedical knowledge graphs (KGs) are widely used across research and translational settings, yet their design decisions and implementation are often opaque. Unlike ontologies that…