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VAMPnets for deep learning of molecular kinetics.
Mardt A, Pasquali L, Wu H, Noé F. Mardt A, et al. Among authors: noe f. Nat Commun. 2018 Jan 2;9(1):5. doi: 10.1038/s41467-017-02388-1. Nat Commun. 2018. PMID: 29295994 Free PMC article.
A litmus test for classifying recognition mechanisms of transiently binding proteins.
Chakrabarti KS, Olsson S, Pratihar S, Giller K, Overkamp K, Lee KO, Gapsys V, Ryu KS, de Groot BL, Noé F, Becker S, Lee D, Weikl TR, Griesinger C. Chakrabarti KS, et al. Among authors: noe f. Nat Commun. 2022 Jul 1;13(1):3792. doi: 10.1038/s41467-022-31374-5. Nat Commun. 2022. PMID: 35778416 Free PMC article.
Electronic excited states in deep variational Monte Carlo.
Entwistle MT, Schätzle Z, Erdman PA, Hermann J, Noé F. Entwistle MT, et al. Among authors: noe f. Nat Commun. 2023 Jan 17;14(1):274. doi: 10.1038/s41467-022-35534-5. Nat Commun. 2023. PMID: 36650151 Free PMC article.
Machine learning coarse-grained potentials of protein thermodynamics.
Majewski M, Pérez A, Thölke P, Doerr S, Charron NE, Giorgino T, Husic BE, Clementi C, Noé F, De Fabritiis G. Majewski M, et al. Among authors: noe f. Nat Commun. 2023 Sep 15;14(1):5739. doi: 10.1038/s41467-023-41343-1. Nat Commun. 2023. PMID: 37714883 Free PMC article.
308 results