Rosta E - Search Results

1

Limiting relaxation times from Markov state models.

Kells A, Annibale A, Rosta E. Kells A, et al. Among authors: rosta e. J Chem Phys. 2018 Aug 21;149(7):072324. doi: 10.1063/1.5027203. J Chem Phys. 2018. PMID: 30134666

2

In-Situ Spectro-Electrochemistry of Conductive Polymers Using Plasmonics to Reveal Doping Mechanisms.

Peng J, Lin Q, Földes T, Jeong HH, Xiong Y, Pitsalidis C, Malliaras GG, Rosta E, Baumberg JJ. Peng J, et al. Among authors: rosta e. ACS Nano. 2022 Dec 27;16(12):21120-21128. doi: 10.1021/acsnano.2c09081. Epub 2022 Dec 5. ACS Nano. 2022. PMID: 36468680 Free PMC article.

3

Strong structuring arising from weak cooperative O-H···π and C-H···O hydrogen bonding in benzene-methanol solution.

Di Mino C, Seel AG, Clancy AJ, Headen TF, Földes T, Rosta E, Sella A, Skipper NT. Di Mino C, et al. Among authors: rosta e. Nat Commun. 2023 Sep 22;14(1):5900. doi: 10.1038/s41467-023-41451-y. Nat Commun. 2023. PMID: 37736749 Free PMC article.

4

SERS Sensing of Dopamine with Fe(III)-Sensitized Nanogaps in Recleanable AuNP Monolayer Films.

Niihori M, Földes T, Readman CA, Arul R, Grys DB, Nijs B, Rosta E, Baumberg JJ. Niihori M, et al. Among authors: rosta e. Small. 2023 Nov;19(48):e2302531. doi: 10.1002/smll.202302531. Epub 2023 Aug 21. Small. 2023. PMID: 37605460

5

Statistically optimal analysis of state-discretized trajectory data from multiple thermodynamic states.

Wu H, Mey AS, Rosta E, Noé F. Wu H, et al. Among authors: rosta e. J Chem Phys. 2014 Dec 7;141(21):214106. doi: 10.1063/1.4902240. J Chem Phys. 2014. PMID: 25481128

6

Free energies from dynamic weighted histogram analysis using unbiased Markov state model.

Rosta E, Hummer G. Rosta E, et al. J Chem Theory Comput. 2015 Jan 13;11(1):276-85. doi: 10.1021/ct500719p. Epub 2014 Dec 23. J Chem Theory Comput. 2015. PMID: 26574225

7

Peptide dimerization-dissociation rates from replica exchange molecular dynamics.

Leahy CT, Kells A, Hummer G, Buchete NV, Rosta E. Leahy CT, et al. Among authors: rosta e. J Chem Phys. 2017 Oct 21;147(15):152725. doi: 10.1063/1.5004774. J Chem Phys. 2017. PMID: 29055328

8

Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations.

Stelzl LS, Kells A, Rosta E, Hummer G. Stelzl LS, et al. Among authors: rosta e. J Chem Theory Comput. 2017 Dec 12;13(12):6328-6342. doi: 10.1021/acs.jctc.7b00373. Epub 2017 Nov 9. J Chem Theory Comput. 2017. PMID: 29059525

9

Calculating Kinetic Rates and Membrane Permeability from Biased Simulations.

Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E. Badaoui M, et al. Among authors: rosta e. J Phys Chem B. 2018 Dec 13;122(49):11571-11578. doi: 10.1021/acs.jpcb.8b07442. Epub 2018 Oct 22. J Phys Chem B. 2018. PMID: 30247032

10

Mean first passage times in variational coarse graining using Markov state models.

Kells A, Mihálka ZÉ, Annibale A, Rosta E. Kells A, et al. Among authors: rosta e. J Chem Phys. 2019 Apr 7;150(13):134107. doi: 10.1063/1.5083924. J Chem Phys. 2019. PMID: 30954057

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