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Uncertainty estimation.
Noé F, Chodera JD. Noé F, et al. Among authors: chodera jd. Adv Exp Med Biol. 2014;797:61-74. doi: 10.1007/978-94-007-7606-7_5. Adv Exp Med Biol. 2014. PMID: 24297275 No abstract available.
End-to-end differentiable construction of molecular mechanics force fields.
Wang Y, Fass J, Kaminow B, Herr JE, Rufa D, Zhang I, Pulido I, Henry M, Bruce Macdonald HE, Takaba K, Chodera JD. Wang Y, et al. Among authors: chodera jd. Chem Sci. 2022 Sep 8;13(41):12016-12033. doi: 10.1039/d2sc02739a. eCollection 2022 Oct 26. Chem Sci. 2022. PMID: 36349096 Free PMC article.
Markov models of molecular kinetics: generation and validation.
Prinz JH, Wu H, Sarich M, Keller B, Senne M, Held M, Chodera JD, Schütte C, Noé F. Prinz JH, et al. Among authors: chodera jd. J Chem Phys. 2011 May 7;134(17):174105. doi: 10.1063/1.3565032. J Chem Phys. 2011. PMID: 21548671
Estimation and validation of Markov models.
Prinz JH, Chodera JD, Noé F. Prinz JH, et al. Among authors: chodera jd. Adv Exp Med Biol. 2014;797:45-60. doi: 10.1007/978-94-007-7606-7_4. Adv Exp Med Biol. 2014. PMID: 24297274 Review. No abstract available.
129 results