Pocket-Surface Discrete Differential Geometry as a Leakage-Robust Feature Class for Protein-Ligand Binding Affinity Prediction.

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Title: Pocket-Surface Discrete Differential Geometry as a Leakage-Robust Feature Class for Protein-Ligand Binding Affinity Prediction.
Authors: Balcı MA; Department of Mathematics, Faculty of Science, Mugla Sitki Kocman University, 48000 Mugla, Turkey., Çetin E; Department of Mathematics, Faculty of Science, Ege University, 35100 Izmir, Turkey., Calibasi-Kocal G; Translational Oncology Department, Oncology Institute, Dokuz Eylul University, 35340 Izmir, Turkey., Akgüller Ö; Department of Mathematics, Faculty of Science, Mugla Sitki Kocman University, 48000 Mugla, Turkey.; Oncology Department, Institute of Health Sciences, Dokuz Eylul University, 35340 Izmir, Turkey.
Source: Molecules (Basel, Switzerland) [Molecules] 2026 Jun 01; Vol. 31 (11). Date of Electronic Publication: 2026 Jun 01.
Publication Type: Journal Article
Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE
Database: MEDLINE Ultimate
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ISSN:1420-3049
DOI:10.3390/molecules31111899