Driving and characterizing nucleation of urea and glycine polymorphs in water Z Zou, ER Beyerle, ST Tsai, P Tiwary Proceedings of the National Academy of Sciences 120 (7), e2216099120, 2023 | 21 | 2023 |
Large scale benchmark of materials design methods K Choudhary, D Wines, K Li, KF Garrity, V Gupta, AH Romero, JT Krogel, ... arXiv preprint arXiv:2306.11688, 2023 | 12 | 2023 |
Dinucleotides as simple models of the base stacking-unstacking component of DNA ‘breathing’mechanisms ER Beyerle, M Dinpajooh, H Ji, PH von Hippel, AH Marcus, MG Guenza Nucleic acids research 49 (4), 1872-1885, 2021 | 11 | 2021 |
Quantifying energetic and entropic pathways in molecular systems ER Beyerle, S Mehdi, P Tiwary The Journal of Physical Chemistry B 126 (21), 3950-3960, 2022 | 10 | 2022 |
Kinetics analysis of ubiquitin local fluctuations with Markov state modeling of the LE4PD normal modes ER Beyerle, MG Guenza The Journal of chemical physics 151 (16), 2019 | 9 | 2019 |
Universality and specificity in protein fluctuation dynamics J Copperman, M Dinpajooh, ER Beyerle, MG Guenza Physical Review Letters 119 (15), 158101, 2017 | 9 | 2017 |
Recent advances in describing and driving crystal nucleation using machine learning and artificial intelligence ER Beyerle, Z Zou, P Tiwary Current Opinion in Solid State and Materials Science 27 (4), 101093, 2023 | 7 | 2023 |
JARVIS-Leaderboard: a large scale benchmark of materials design methods K Choudhary, D Wines, K Li, KF Garrity, V Gupta, AH Romero, JT Krogel, ... npj Computational Materials 10 (1), 93, 2024 | 4 | 2024 |
Identifying the leading dynamics of ubiquitin: A comparison between the tICA and the LE4PD slow fluctuations in amino acids’ position ER Beyerle, MG Guenza The Journal of Chemical Physics 155 (24), 2021 | 4 | 2021 |
Comparison between slow anisotropic LE4PD fluctuations and the principal component analysis modes of ubiquitin ER Beyerle, MG Guenza The Journal of Chemical Physics 154 (12), 124111, 2021 | 4 | 2021 |
Thermodynamically optimized machine-learned reaction coordinates for hydrophobic ligand dissociation ER Beyerle, P Tiwary The Journal of Physical Chemistry B 128 (3), 755-767, 2024 | 1 | 2024 |
Tyrosine hydroxylase-producing neurons in the human cerebral cortex do not colocalize with calcium-binding proteins or the serotonin 3A receptor SE Asmus, MA Raghanti, ER Beyerle, JC Fleming-Beattie, SM Hawkins, ... Journal of chemical neuroanatomy 78, 1-9, 2016 | 1 | 2016 |
Information Bottleneck Approach for Markov Model Construction D Wang, Y Qiu, ER Beyerle, X Huang, P Tiwary Journal of Chemical Theory and Computation, 2024 | | 2024 |
Extensions of the Langevin Equation for Protein Dynamics for Modelling Equilibrium Fluctuations of Proteins E Beyerle University of Oregon, 2021 | | 2021 |
A Comparison of the Slow Dynamics in the Protein Ubiquitin Predicted by the LE4PD, PCA, and tICA from a Long Equilibrium Molecular Dynamics Simulation E Beyerle, M Guenza APS March Meeting Abstracts 2021, E12. 005, 2021 | | 2021 |
Fluctuations and binding of proteins in a multi scale model M Guenza, E Beyerle American Chemical Society SciMeetings 1 (2), 2020 | | 2020 |
A kinetic analysis of local fluctuations in ubiquitin by combining the LE4PD normal modes and Markov state modeling E Beyerle, M Guenza Bulletin of the American Physical Society 65, 2020 | | 2020 |
Combining LE4PD Normal Modes and Markov State Modeling to Elucidate the Fluctuation Dynamics of Ubiquitin ER Beyerle, MG Guenza Biophysical Journal 118 (3), 208a, 2020 | | 2020 |
An Anisotropic Langevin Equation for Protein Dynamics E Beyerle, M Guenza APS March Meeting Abstracts 2019, B55. 012, 2019 | | 2019 |
The Influence of Free-Energy Surfaces on Mode-Dependent Protein Dynamics E Beyerle, M Guenza Bulletin of the American Physical Society 63, 2018 | | 2018 |