PlayMolecule BindScope: large scale CNN-based virtual screening on the web
Author:
Affiliation:
1. Computational Biophysics Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park, Barcelona, Spain
2. Institució Catalana de Recerca i Estudis Avançats (ICREA), Barcelona, Spain
Funder
MINECO
European Union’s Horizon 2020 research and innovation programme
Publisher
Oxford University Press (OUP)
Subject
Computational Mathematics,Computational Theory and Mathematics,Computer Science Applications,Molecular Biology,Biochemistry,Statistics and Probability
Link
http://academic.oup.com/bioinformatics/article-pdf/35/7/1237/28277929/bty758.pdf
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2. HTMD: high-throughput molecular dynamics for molecular discovery;Doerr;J. Chem. Theory Comput,2016
3. Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy;Friesner;J. Med. Chem,2004
4. Densely Connected Convolutional Networks
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