作者: Gerhard Klebe , Nils Weskamp , Eyke Hüllermeier , Daniel Kuhn
DOI:
关键词: Graph (abstract data type) 、 Geometric hashing 、 Hash function 、 Mathematics 、 Pattern recognition 、 Artificial intelligence 、 Protein structure 、 Protein similarity 、 Nearest neighbor search 、 Fold (higher-order function)
摘要: In order to make the structural comparison of protein binding sites more efficient, we propose a two-step method that combines advantages from both graph-based clique-detection and geometric hashing. The search for similarity is completely independent sequence fold information. Instead, it based on recent approach automatic extraction structures representation their physicochemical properties. We also present some empirical results in medium-sized dataset.