AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets
نویسندگان
چکیده
منابع مشابه
AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets
MOTIVATION Sampling the conformational space is a fundamental step for both ligand- and structure-based drug design. However, the rational organization of different molecular conformations still remains a challenge. In fact, for drug design applications, the sampling process provides a redundant conformation set whose thorough analysis can be intensive, or even prohibitive. We propose a statist...
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ژورنال
عنوان ژورنال: Bioinformatics
سال: 2006
ISSN: 1367-4803,1460-2059
DOI: 10.1093/bioinformatics/btl212