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Machine learned coarse-grained protein force-fields: Are we there yet?
Durumeric AEP, Charron NE, Templeton C, Musil F, Bonneau K, Pasos-Trejo AS, Chen Y, Kelkar A, Noé F, Clementi C. Durumeric AEP, et al. Among authors: noe f. Curr Opin Struct Biol. 2023 Apr;79:102533. doi: 10.1016/j.sbi.2023.102533. Epub 2023 Jan 31. Curr Opin Struct Biol. 2023. PMID: 36731338 Free PMC article. Review.
Markov state models of biomolecular conformational dynamics.
Chodera JD, Noé F. Chodera JD, et al. Among authors: noe f. Curr Opin Struct Biol. 2014 Apr;25:135-44. doi: 10.1016/j.sbi.2014.04.002. Epub 2014 May 16. Curr Opin Struct Biol. 2014. PMID: 24836551 Free PMC article. Review.
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
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.
Nanoscale coupling of endocytic pit growth and stability.
Lehmann M, Lukonin I, Noé F, Schmoranzer J, Clementi C, Loerke D, Haucke V. Lehmann M, et al. Among authors: noe f. Sci Adv. 2019 Nov 27;5(11):eaax5775. doi: 10.1126/sciadv.aax5775. eCollection 2019 Nov. Sci Adv. 2019. PMID: 31807703 Free PMC article.
299 results