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Works (7)

Information Bottleneck Approach for Markov Model Construction

Journal of Chemical Theory and Computation
2024-06-25 | Journal article
DOI: 10.1021/acs.jctc.4c00449
Contributors: Dedi Wang; Yunrui Qiu; Eric R. Beyerle; Xuhui Huang; Pratyush Tiwary
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Thermodynamically Optimized Machine-Learned Reaction Coordinates for Hydrophobic Ligand Dissociation

The Journal of Physical Chemistry B
2024-01-25 | Journal article
DOI: 10.1021/acs.jpcb.3c08304
Contributors: Eric R. Beyerle; Pratyush Tiwary
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Driving and characterizing nucleation of urea and glycine polymorphs in water

Proceedings of the National Academy of Sciences
2023-02-14 | Journal article
DOI: 10.1073/pnas.2216099120
Contributors: Ziyue Zou; Eric R. Beyerle; Sun-Ting Tsai; Pratyush Tiwary
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Identifying the leading dynamics of ubiquitin: A comparison between the tICA and the LE4PD slow fluctuations in amino acids’ position

The Journal of Chemical Physics
2021-12-28 | Journal article
DOI: 10.1063/5.0059688
Contributors: E. R. Beyerle; M. G. Guenza
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Comparison between slow anisotropic LE4PD fluctuations and the principal component analysis modes of ubiquitin

The Journal of Chemical Physics
2021-03-28 | Journal article
DOI: 10.1063/5.0041211
Contributors: E. R. Beyerle; M. G. Guenza
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Comparison between slow, anisotropic LE4PD fluctuations and the Principal Component Analysis modes of Ubiquitin

2021-01-08 | Preprint
DOI: 10.1101/2021.01.06.425617
Contributors: E. R. Beyerle; M. G. Guenza
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Kinetics analysis of ubiquitin local fluctuations with Markov state modeling of the LE4PD normal modes

The Journal of Chemical Physics
2019-10-28 | Journal article
DOI: 10.1063/1.5123513
Contributors: Eric R. Beyerle; Marina G. Guenza
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Peer review (8 reviews for 5 publications/grants)

Review activity for Acta materialia. (1)
Review activity for Computational biology and chemistry. (1)
Review activity for Journal of chemical information and modeling. (1)
Review activity for Journal of chemical theory and computation : (4)
Review activity for The journal of physical chemistry. (1)
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