Dmitry Nerukh

Aston University, United Kingdom
Department of Mathematics

Scopus profile: link
Publons: link
Google Scholar profile: link
ID ORCID: http://orcid.org/0000-0001-9005-9919

Selected Publications:

  1. Wu, Y., Okesola, B. O., Xu, J., Korotkin, I., Berardo, A., Nerukh, D. et. al. (2020). Disordered protein-graphene oxide co-assembly and supramolecular biofabrication of functional fluidic devices. Nature Communications, 11(1). doi: http://doi.org/10.1038/s41467-020-14716-z 

  2. Farafonov, V. S., Nerukh, D. (2019). MS2 bacteriophage capsid studied using all-atom molecular dynamics. Interface Focus, 9 (3), 20180081. doi: http://doi.org/10.1098/rsfs.2018.0081 

  3. Tarasova, E., Nerukh, D. (2018). All-Atom Molecular Dynamics Simulations of Whole Viruses. The Journal of Physical Chemistry Letters, 9 (19), 5805–5809. doi: http://doi.org/10.1021/acs.jpclett.8b02298 

  4. Tarasova, E., Farafonov, V., Taiji, M., Nerukh, D. (2018). Details of charge distribution in stable viral capsid. Journal of Molecular Liquids, 265, 585–591. doi: http://doi.org/10.1016/j.molliq.2018.06.019 

  5. Tarasova, E., Korotkin, I., Farafonov, V., Karabasov, S., Nerukh, D. (2017). Complete virus capsid at all-atom resolution: Simulations using molecular dynamics and hybrid molecular dynamics/hydrodynamics methods reveal semipermeable membrane function. Journal of Molecular Liquids, 245, 109–114. doi: http://doi.org/10.1016/j.molliq.2017.06.124 

  6. Atamas, N., Bardik, V., Bannikova, A., Grishina, O., Lugovskoi, E., Lavoryk, S. et. al. (2017). The effect of water dynamics on conformation changes of albumin in pre-denaturation state: photon correlation spectroscopy and simulation. Journal of Molecular Liquids, 235, 17–23. doi: http://doi.org/10.1016/j.molliq.2017.01.017 

  7. Tarasova, E., Farafonov, V., Khayat, R., Okimoto, N., Komatsu, T. S., Taiji, M., Nerukh, D. (2017). All-Atom Molecular Dynamics Simulations of Entire Virus Capsid Reveal the Role of Ion Distribution in Capsid’s Stability. The Journal of Physical Chemistry Letters, 8 (4), 779–784. doi: http://doi.org/10.1021/acs.jpclett.6b02759 

  8. Korotkin, I., Nerukh, D., Tarasova, E., Farafonov, V., Karabasov, S. (2016). Two-phase flow analogy as an effective boundary condition for modelling liquids at atomistic resolution. Journal of Computational Science, 17, 446–456. doi: http://doi.org/10.1016/j.jocs.2016.03.012 

  9. Scukins, A., Nerukh, D., Pavlov, E., Karabasov, S., Markesteijn, A. (2015). Multiscale molecular dynamics/hydrodynamics implementation of two dimensional “Mercedes Benz” water model. The European Physical Journal Special Topics, 224 (12), 2217–2238. doi: http://doi.org/10.1140/epjst/e2015-02409-8 

  10. Korotkin, I., Karabasov, S., Nerukh, D., Markesteijn, A., Scukins, A., Farafonov, V., Pavlov, E. (2015). A hybrid molecular dynamics/fluctuating hydrodynamics method for modelling liquids at multiple scales in space and time. The Journal of Chemical Physics, 143 (1), 014110. doi: http://doi.org/10.1063/1.4923011