DeepSite: protein-binding site predictor using 3D-convolutional neural networks.
Journal:
Bioinformatics (Oxford, England)
Published Date:
Oct 1, 2017
Abstract
MOTIVATION: 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 features of the protein.