Boosting Docking-Based Virtual Screening with Deep Learning
نویسندگان
چکیده
منابع مشابه
Boosting Docking-Based Virtual Screening with Deep Learning
In this work, we propose a deep learning approach to improve docking-based virtual screening. The deep neural network that is introduced, DeepVS, uses the output of a docking program and learns how to extract relevant features from basic data such as atom and residues types obtained from protein-ligand complexes. Our approach introduces the use of atom and amino acid embeddings and implements a...
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ژورنال
عنوان ژورنال: Journal of Chemical Information and Modeling
سال: 2016
ISSN: 1549-9596,1549-960X
DOI: 10.1021/acs.jcim.6b00355