Πλοήγηση ανά Θέμα "Molecular surfaces"
Αποτελέσματα 1-2 από 2
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A shape descriptor for fast complementarity matching in molecular docking
(2011)This paper presents a novel approach for fast rigid docking of proteins based on geometric complementarity. After extraction of the 3D molecular surface, a set of local surface patches is generated based on the local surface ... -
Similarity search of flexible 3d molecules combining local and global shape descriptors
(2016)In this paper, a framework for shape-based similarity search of 3D molecular structures is presented. The proposed framework exploits simultaneously the discriminative capabilities of a global, a local, and a hybrid ...