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Machine Learning for Molecular Simulation.
Noé F, Tkatchenko A, Müller KR, Clementi C. Noé F, et al. Annu Rev Phys Chem. 2020 Apr 20;71:361-390. doi: 10.1146/annurev-physchem-042018-052331. Epub 2020 Feb 24. Annu Rev Phys Chem. 2020. PMID: 32092281
Rapid Calculation of Molecular Kinetics Using Compressed Sensing.
Litzinger F, Boninsegna L, Wu H, Nüske F, Patel R, Baraniuk R, Noé F, Clementi C. Litzinger F, et al. Among authors: noe f. J Chem Theory Comput. 2018 May 8;14(5):2771-2783. doi: 10.1021/acs.jctc.8b00089. Epub 2018 Apr 24. J Chem Theory Comput. 2018. PMID: 29660273
Reversible Interacting-Particle Reaction Dynamics.
Fröhner C, Noé F. Fröhner C, et al. Among authors: noe f. J Phys Chem B. 2018 Dec 13;122(49):11240-11250. doi: 10.1021/acs.jpcb.8b06981. Epub 2018 Sep 4. J Phys Chem B. 2018. PMID: 30125111
Machine Learning of Coarse-Grained Molecular Dynamics Force Fields.
Wang J, Olsson S, Wehmeyer C, Pérez A, Charron NE, de Fabritiis G, Noé F, Clementi C. Wang J, et al. Among authors: noe f. ACS Cent Sci. 2019 May 22;5(5):755-767. doi: 10.1021/acscentsci.8b00913. Epub 2019 Apr 15. ACS Cent Sci. 2019. PMID: 31139712 Free PMC article.
299 results