CAVIAR: a method for automatic cavity detection, description and decomposition into subcavities
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery
Link
https://link.springer.com/content/pdf/10.1007/s10822-021-00390-w.pdf
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3. Volkamer A, von Behren MM, Bietz S, Rarey M (2018) Prediction, analysis, and comparison of active sites. In: Engel T, Gasteiger J (eds) Applied chemoinformatics. Wiley, New York, pp 283–311
4. Macari G, Toti D, Polticelli F (2019) Computational methods and tools for binding site recognition between proteins and small molecules: from classical geometrical approaches to modern machine learning strategies. J Comput Aided Mol Des 33:887–903. https://doi.org/10.1007/s10822-019-00235-7
5. Volkamer A, Kuhn D, Rippmann F, Rarey M (2012) DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment. Bioinformatics 28:2074–2075. https://doi.org/10.1093/bioinformatics/bts310
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