@inbook{2fba816700b6458ca973bbe9671fcfcb,
title = "Application of conformational clustering in protein-ligand docking",
abstract = "Protein-Ligand docking is a powerful technique routinely employed in structure-based drug design. Despite many reported success stories, docking is not always able to provide an accurate and easily interpretable prediction of the structure of the bound complex formed by a small organic molecule and a pharmacologically relevant target. Cluster analysis can represent a versatile and readily available postprocessing tool to be employed in combination with protein-ligand docking to simplify the evaluation of the results and help to overcome present limitations of docking protocols.",
keywords = "AClAP, Cluster analysis, Conformational sampling, Hierarchical-agglomerative clustering, Protein-ligand docking",
author = "Giovanni Bottegoni and Walter Rocchia and Andrea Cavalli",
year = "2012",
month = jan,
day = "23",
doi = "10.1007/978-1-61779-465-0_12",
language = "English",
isbn = "9781617794643",
series = "Methods in Molecular Biology",
pages = "169--186",
booktitle = "Computational Drug Discovery and Design",
}