DeepSite: protein-binding site predictor using 3D-convolutional neural networks

An important step in structure-based drug design consists in the prediction of druggable binding sites. Several algorithms for detecting binding cavities, those likely to bind to a small drug compound, have been developed over the years by clever exploitation of geometric, chemical and evolutionary...

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Bibliographic Details

Published in:	Bioinformatics (Oxford, England) Vol. 33; no. 19; pp. 3036 - 3042
Main Authors:	Jiménez, J, Doerr, S, Martínez-Rosell, G, Rose, A S, De Fabritiis, G
Format:	Journal Article
Language:	English
Published:	England 01-10-2017
Subjects:	Algorithms Binding Sites Drug Design Machine Learning Neural Networks, Computer Protein Conformation Proteins - chemistry Software
Online Access:	Get full text
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