Edina Rosta, Ph.D.

Affiliations: 
2007 Chemistry University of Southern California, Los Angeles, CA, United States 
Area:
Theoretical Chemistry and Biophysics
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"Edina Rosta"
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Parents

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Arieh Warshel grad student 2007 USC
 (Ab initio methodologies in studying enzymatic reactions.)
Gerhard Hummer post-doc Kings College London
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Publications

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Kells A, Koskin V, Rosta E, et al. (2020) Correlation functions, mean first passage times, and the Kemeny constant. The Journal of Chemical Physics. 152: 104108
Kells A, Mihálka ZÉ, Annibale A, et al. (2019) Mean first passage times in variational coarse graining using Markov state models. The Journal of Chemical Physics. 150: 134107
Badaoui M, Kells A, Molteni C, et al. (2018) Calculating Kinetic Rates and Membrane Permeability from Biased Simulation. The Journal of Physical Chemistry. B
Kells A, Annibale A, Rosta E. (2018) Limiting relaxation times from Markov state models. The Journal of Chemical Physics. 149: 072324
Stelzl LS, Kells A, Rosta E, et al. (2017) Dynamic Histogram Analysis to Determine Free Energies and Rates from Biased Simulations. Journal of Chemical Theory and Computation
Leahy CT, Kells A, Hummer G, et al. (2017) Peptide dimerization-dissociation rates from replica exchange molecular dynamics. The Journal of Chemical Physics. 147: 152725
Nagy GN, Suardiaz R, Lopata A, et al. (2016) Structural Characterization of Arginine Fingers: Identification of an Arginine Finger for the Pyrophosphatase dUTPases. Journal of the American Chemical Society
Leahy CT, Murphy RD, Hummer G, et al. (2016) Coarse Master Equations for Binding Kinetics of Amyloid Peptide Dimers. The Journal of Physical Chemistry Letters
Jambrina PG, Rauch N, Pilkington R, et al. (2015) Phosphorylation of RAF Kinase Dimers Drives Conformational Changes that Facilitate Transactivation. Angewandte Chemie (International Ed. in English)
Rosta E, Hummer G. (2015) Free Energies from Dynamic Weighted Histogram Analysis Using Unbiased Markov State Model. Journal of Chemical Theory and Computation. 11: 276-85
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