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A theoretical and conceptual framework for a learnable geometric functional in ligand–receptor affinity prediction with mutation-conditioned message passing

September 30, 2025
Ioan-Matei Rusu 1, Juliana Margineanu 1, 2, Stefan-Rares Maxim 1, Radu Magop 1, George Smau 2, Răzvan Rotaru 2, Ionel-Bogdan Tamba 1 * 1 Prof. Ostin C. Mungiu Advanced Research and Development Center for Experimental Medicine – CEMEX, Grigore T. Popa University of Medicine and Pharmacy, Iasi, Romania2 Alexandru Ioan Cuza University, Iasi, Romania* Correspondence