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Number of items: 37.

2019

Mchedlov-Petrossyan, Nikolay O., Farafonov, Vladimir S., Cheipesh, Tatyana A., Shekhovtsov, Sergey V., Nerukh, Dmitry A. and Lebed, Alexander V. (2019). In search of an optimal acid-base indicator for examining surfactant micelles:Spectrophotometric studies and molecular dynamics simulations. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 565 , pp. 97-107.

2018

Tarasova, Elvira and Nerukh, Dmitry (2018). All-Atom Molecular Dynamics Simulations of Whole Viruses. Journal of Physical Chemistry Letters, 9 , pp. 5805-5809.

Tarasova, Elvira, Farafonov, Vladimir, Taiji, Makoto and Nerukh, Dmitry (2018). Details of charge distribution in stable viral capsid. Journal of Molecular Liquids, 265 , pp. 585-591.

2017

Tarasova, Elvira, Korotkin, Ivan, Farafonov, Volodymyr, Karabasov, Sergey and Nerukh, Dmitry (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, in pre ,

Tarasova, Elvira, Farafonov, Vladimir, Khayat, Reza, Okimoto, Noriaki, Komatsu, Teruhisa, Taiji, Makoto and Nerukh, Dmitry (2017). All-atom molecular dynamics simulations of entire virus capsid reveal the role of ion distribution in capsid’s stability. Journal of Physical Chemistry Letters, 8 (4), pp. 779-784.

Atamas, N., Bardik, V., Bannikova, A., Grishina, O., Lugovskoi, E., Lavoryk, S., Makogonenko, Y., Korolovych, V. and Nerukh, D. (2017). The effect of water dynamics on conformation changes of albumin in pre-denaturation state:photon correlation spectroscopy and simulation. Journal of Molecular Liquids, In pre ,

2016

Korotkin, Ivan, Nerukh, Dmitry, Tarasova, Elvira, Farafonov, Vladimir and Karabasov, Sergey (2016). Two-phase flow analogy as an effective boundary condition for modelling liquids at atomistic resolution. Journal of Computational Science, 17 (part 2), pp. 446-456.

2015

Scukins, A., Nerukh, D., Pavlov, E., Karabasov, S. and Markesteijn, A. (2015). Multiscale molecular dynamics/hydrodynamics implementation of two dimensional “Mercedes Benz” water model. European Physical Journal, 224 (12), pp. 2217-2238.

Scukins, Arturs, Bardik, Vitaliy, Pavlov, Evgen and Nerukh, Dmitry (2015). Molecular Dynamics implementation of BN2D or 'Mercedes Benz' water model. Computer Physics Communications, 190 , pp. 129-138.

Korotkin, Ivan, Karabasov, Sergey, Nerukh, Dmitry, Markesteijn, Anton, Scukins, Arturs, Farafonov, Vladimir and Pavlov, Evgen (2015). A hybrid molecular dynamics/fluctuating hydrodynamics method for modelling liquids at multiple scales in space and time. Journal of Chemical Physics, 143 (1),

2014

Karabasov, Sergey, Nerukh, Dmitry, Hoekstra, Alfons, Chopard, Bastien and Coveney, Peter V. (2014). Multiscale modelling:approaches and challenges. Philosophical Transactions A, 372 (2021),

Pavlov, Evgen, Taiji, Makoto, Scukins, Arturs, Markesteijn, Anton, Karabasov, Sergey and Nerukh, Dmitry (2014). Visualising and controlling the flow in biomolecular systems at and between multiple scales:from atoms to hydrodynamics at different locations in time and space. Faraday Discussions, 169 , pp. 285-302.

2013

Nerukh, Alexander G. and Nerukh, Dmitry A. (2013). Time-spatial drift of decelerating electromagnetic pulses. Optics Express, 21 (14), pp. 17366-17372.

Nerukh, Dmitry and Karabasov, Sergey (2013). Water-peptide dynamics during conformational transitions. Journal of Physical Chemistry Letters, 4 (5), pp. 815-819.

2012

Bardik, V.Yu, Nerukh, D., Pavlov, E.V. and Vlasyuk, M.S. (2012). Free energy functional expansion as the generalized approach to the equation of state of dense fluids. Ukrainian Journal of Physics, 57 (6), pp. 612-618.

Bardik, V.Yu., Nerukh, D., Pavlov, E. and Zhyganiuk, I. (2012). Equation of state for water in the small compressibility region. Ukrainian Journal of Physics, 57 (1), pp. 47-51.

2011

Ryabov, Vladimir and Nerukh, Dmitry (2011). Computational mechanics of molecular systems:quantifying high-dimensional dynamics by distribution of Poincaré recurrence times. Chaos, 21 (3),

Nerukh, Alexander G., Zolotariov, Denis A. and Nerukh, Dmitry (2011). Bifurcating trajectory of non-diffractive electromagnetic airy pulse. UNSPECIFIED. (Unpublished)

Nerukh, Dmitry and Ryabov, Vladimir (2011). Quantifying long time memory in phase space trajectories of molecular liquids. Journal of Molecular Liquids, 159 (1), pp. 99-104.

Fedorov, Maxim V., Goodman, Jonathan M., Nerukh, Dmitry and Schumm, Stephan (2011). Self-assembly of trehalose molecules on a lysozyme surface: the broken glass hypothesis. Physical Chemistry Chemical Physics, 13 (6), pp. 2294-2299.

2010

Ruzhytska, Svitlana, Jacobi, Martin N., Jensen, Christian H. and Nerukh, Dmitry (2010). Identification of metastable states in peptide's dynamics. Journal of Chemical Physics, 133 (16), p. 164102.

Nerukh, Dmitry (2010). Why are MD simulated protein folding times wrong? IN: Advances in Computational Biology. Arabnia, Hamid R. (ed.) Advances in Experimental Medicine and Biology, Part 3 . Springer.

Nerukh, Dmitry, Jensen, Christian H. and Glen, Robert C. (2010). Identifying and correcting non-Markov states in peptide conformational dynamics. Journal of Chemical Physics, 132 (8), 084104.

2009

Nerukh, Dmitry, Ryabov, Vladimir and Taiji, Makoto (2009). Molecular phase space transport in water:non-stationary random walk model. Physica A, 388 (22), pp. 4719-4726.

Nerukh, Dmitry and Taiji, Makoto (2009). 21-residue peptide's dynamics at and between elementary structural transitions. Journal of Molecular Liquids, 147 (1-2), pp. 124-127.

Nerukh, D. (2009). Dynamical frustration of protein's environment at the nanoseconds time scale. Journal of Molecular Liquids, 145 (3), pp. 139-144.

2008

Jensen, Christian H., Nerukh, Dmitry and Glen, Robert C. (2008). Controlling protein molecular dynamics:how to accelerate folding while preserving the native state. Journal of Chemical Physics, 129 (22),

Buts, V.A., Nerukh, A.G., Ruzhytska, N.N. and Nerukh, Dmitry (2008). Wave chaotic behaviour generated by linear systems. Optical and Quantum Electronics, 40 (8), pp. 587-601.

Nerukh, D. (2008). Computational mechanics reveals nanosecond time correlations in molecular dynamics of liquid systems. Chemical Physics Letters, 457 (4-6), pp. 439-443.

Nerukh, Dmitry, Ryabov, Vladimir and Glen, Robert C. (2008). Complex temporal patterns in molecular dynamics:a direct measure of the phase-space exploration by the trajectory at macroscopic time scales. Physical Review E, 77 (3),

Jensen, Christian H., Nerukh, Dmitry and Glen, Robert C. (2008). Sensitivity of peptide conformational dynamics on clustering of a classical molecular dynamics trajectory. Journal of Chemical Physics, 128 (11),

2007

Jensen, Christian H., Nerukh, Dmitry and Glen, Robert C. (2007). Calculating mean first passage times from Markov models of proteins. AIP Conference Proceedings, 940 , pp. 150-157.

2006

Nerukh, A., Ruzhytska, N. and Nerukh, D. (2006). Quasi-intermittency of waves and their complexity in modulated dielectric medium. IN: Conference Proceedings - 11th International Conference on Mathematical Methods in Electromagnetic Theory, MMET'06. UNSPECIFIED.

2004

Nerukh, Dmitry, Karvounis, George and Glen, Robert C. (2004). Quantifying the complexity of chaos in multibasin multidimensional dynamics of molecular systems. Complexity, 10 (2), pp. 40-46.

Karvounis, George, Nerukh, Dmitry and Glen, Robert C. (2004). Water network dynamics at the critical moment of a peptide's ß-turn formation:a molecular dynamics study. Journal of Chemical Physics, 121 (10), pp. 4925-4935.

2002

Nerukh, Dmitry, Karvounis, George and Glen, Robert C. (2002). Complexity of classical dynamics of molecular systems. I. Methodology. Journal of Chemical Physics, 117 (21), pp. 9611-9617.

Nerukh, Dmitry, Karvounis, George and Glen, Robert C. (2002). Complexity of classical dynamics of molecular systems. II. Finite statistical complexity of a water-Na+ system. Journal of Chemical Physics, 117 (21), pp. 9618-9622.

This list was generated on Fri Apr 26 01:08:32 2019 BST.