VAMPnets for deep learning of molecular kinetics
Author:
Publisher
Springer Science and Business Media LLC
Subject
General Physics and Astronomy,General Biochemistry, Genetics and Molecular Biology,General Chemistry
Link
http://www.nature.com/articles/s41467-017-02388-1.pdf
Reference84 articles.
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3. Kohlhoff, K. J. et al. Cloud-based simulations on google exacycle reveal ligand modulation of gpcr activation pathways. Nat. Chem. 6, 15–21 (2014).
4. Doerr, S., Harvey, M. J., Noé, F. & De Fabritiis, G. HTMD: high-throughput molecular dynamics for molecular discovery. J. Chem. Theory Comput. 12, 1845–1852 (2016).
5. Ufimtsev, I. S. & Martinez, T. J. Graphical processing units for quantum chemistry. Comp. Sci. Eng. 10, 26–34 (2008).
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