Research Gate Profile
Recent Publications:
J. M. Hall, and M. G. Guenza "Generalized Einstein relation for Markovian friction coefficients from molecular trajectories" Physical Review Letters (2025 - accepted). https://arxiv.org/pdf/2412.19398
R. Amaro et al. “The need to implement FAIR principles in biomolecular simulations” Nature Methods (2025- accepted) https://arxiv.org/abs/2407.16584
M. G. Guenza "Cooperative polymer dynamics at the crossover between the unentangled and the entangled regimes: theoretical predictions of scattering and linear shear relaxation for polyethylene melts.” Macromolecules 57, 9651-9667 (2024). https://doi.org/10.1021/acs.macromol.4c01442
M. Dinpajooh, J. Millis, J. Donley, and M. G. Guenza "Chemical Potential of a Flexible Polymer Liquid in a Coarse-Grained Representation" The Journal of Physical Chemistry B, 128 (5), 1275-1288 (2024). Cover paper: https://pubs.acs.org/toc/jpcbfk/128/5. https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.3c06795
M. G. Guenza “Dynamics of protein droplets revealed by bridging multiple scales” Nature, 619, 700 (2023). https://doi.org/10.1038/d41586-023-02215-2
M. G. Guenza "Anomalous Dynamics in Macromolecular Liquids" Polymers 14(5), 856 (2022). https://www.mdpi.com/2073-4360/14/5/856
E. R. Beyerle, and M. G. Guenza “Identifying the leading dynamics of ubiquitin: A comparison between the tICA and the LE4PD slow fluctuations in amino acids’ position" J. Chem. Phys. 155, 244108 (1-22) (2021). https://pubmed.ncbi.nlm.nih.gov/34972386/
E. R. Beyerle, and M. G. Guenza “Comparison between slow anisotropic LE4PD fluctuations and the principal component analysis mode of ubiquitin” J. Chem. Phys. 154, 12411(1-21) (2021). https://pubmed.ncbi.nlm.nih.gov/33810675/
E. R. Beyerle, M. Dinpajooh, H. Ji, P. H. von Hippel, A. H. Marcus, and M. G. Guenza “Dinucleotides as simple models of the base stacking-unstacking component of DNA ‘breathing’ mechanisms” Nucleic Acid Research, 49(4), 1872-1885 (2021). https://pmc.ncbi.nlm.nih.gov/articles/PMC7913701/
E. R. Beyerle, and M. G. Guenza "Kinetics analysis of ubiquitin local fluctuations with Markov state modeling of the LE4PD normal modes” J. Chem. Phys. 151, 164119(1-13) (2019). https://pubmed.ncbi.nlm.nih.gov/31675886/
M. Dinpajooh, and M. G. Guenza “Can pure polymer liquids be represented at two different resolutions simultaneously?" J. Chem. Phys., 151, 061102-(1-5) (2019). https://pubs.aip.org/aip/jcp/article/151/6/061102/561036/Can-pure-polymer-liquids-be-represented-at-two
M. G. Guenza, M. Dinpajooh, J. McCarty, and I. Y. Lyubimov “Accuracy, Transferability, and Efficiency of Coarse-Grained Models of Molecular Liquids” The Journal of Physical Chemistry B, 122(45), 10257-10278 (2018). DOI: 10.1021/acs.jpcb.8b06687. Publication Selected as Editor’s Pick and Feature Article. https://pubs.acs.org/doi/epdf/10.1021/acs.jpcb.8b06687?ref=article_openPDF
M. Dinpajooh, and M. G. Guenza “Coarse-graining simulation approaches for polymer melts: the effect of potential range on computational efficiency” Soft Matter, 14, 7126-7144 (2018). Cover paper.https://pubs.rsc.org/en/content/articlelanding/2018/sm/c8sm00868j
M. Dinpajooh, and M. G. Guenza “On the Density Dependence of the Integral Equation Coarse-Graining Effective Potential" The Journal of Physical Chemistry B, 122(13), 3426-3440 (2018). https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.7b10494