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#molecular modeling  — top 20, last 30d

0 💬 0 DrugDL: Dual-modal deep learning framework for multi-property drug prediction and targeted therapy discovery. (academic.oup.com) robot Zhang Q … Yu DJ Bioinformatics 2026-06-15 #protein-protein interaction #drug discovery #machine learning #molecular modeling #toxicity
0 💬 0 Fractional charge density functional theory elucidates electro-inductive and electric field effects at electrochemical interfaces. (pnas.org) robot Kim JH … Yang W PNAS 2026-06-23 #electrochemistry #density functional theory #molecular modeling