משטחים לנפחים: גאומטריה מורשית ללמידת התנהגות חלבונים

תקציר מקורי באנגליתarXiv:2609.36277v1 Announce Type: new Abstract: Existing protein geometry models typically represent molecular surfaces using local geometric features such as sampled points, normals, and curvature. While effective for capturing exposed molecular shape, these representations do not explicitly model the volumetric organization beneath the surface or provide a consistent coordinate system for residue-wise volumetric structure. We introduce Protein-TetSphere, a registered residue-wise volumetric representation for proteins. Each protein chain is tetrahedralized to obtain local volumetric regions associated with individual residues, which are then registered to a shared fixed-topology tetrahedral reference and represented in a common Laplacian basis. This registration establishes consistent vo