DMITRY NERUKH PUBLICATIONS Dmitry Nerukh and Christian H Jensen Why MD simulated protein folding times are wrong?, submitted Full text (PDF) Svitlana Ruzhytska, Martin Nilsson Jacobi, Christian H Jensen, and Dmitry Nerukh Identification of metastable states in peptide's dynamics, in preparation Full text (PDF) Maxim V Fedorov, Jonathan M Goodman, Dmitry Nerukh, and Stephan Schumm Self-assembly of trehalose molecules on a lysozyme surface: the broken glass hypothesis, submitted Dmitry Nerukh and Vladimir Ryabov Computational Mechanics of molecular systems, accepted for publication in "New Developments in Computational Mechanics", Nova Science Publishers Full text (PDF) Dmitry Nerukh, Christian H Jensen, and Robert C Glen Is peptide dynamics Markovian?, submitted Full text (PDF) Dmitry Nerukh, Vladimir Ryabov, and Makoto Taiji Abnormal diffusion in water: non-stationary phase space random walk model, Physica A, 388 (22), 4719-4726 (2009) Full text (PDF) Christian H. Jensen, Dmitry Nerukh, and Robert C. Glen, Controlling protein molecular dynamics: how to accelerate folding while preserving the native state, J. Chem. Phys., 129, 225102 (2008) Full text (PDF) (reproduced in Virtual Journal of Biological Physics Research, 16(12), (2008)) Dmitry Nerukh and Makoto Taiji, 21-residue peptide's dynamics at and between elementary structural transitions, J. Mol. Liq., 147 (1-2), J. Mol. Liq., 124-127 (2009) Full text (PDF) Dmitry Nerukh, Computational Mechanics reveals nanosecond time correlations in molecular dynamics of liquid systems, Chem. Phys. Lett., 457(4-6), 439-443 (2008) Full text (PDF) Erratum to "Computational mechanics reveals nanosecond time correlations in molecular dynamics of liquid systems" [Chem. Phys. Lett. 457 (2008) 439], Chem. Phys. Lett., 459(1-6), 203 (2008) text (PDF) Dmitry Nerukh, Dynamical frustration of protein's environment at the nanoseconds time scale, J. Mol. Liq., 145 (3), 139-144 (2009) Full text (PDF) V.A. Buts, A.G. Nerukh, N.N. Ruzhytska, and D.A. Nerukh, Wave Chaotic Behaviour Generated by Linear Systems, Optical and Quantum Electronics 40(5), 587-601 (2008) Full text (PDF) Dmitry Nerukh, On the question of calculating the free energies of biomolecular systems: how much of phase space is actually explored?, accepted for publication in Molecular Liquids Review Book, volume "Thermodynamics of Amino Acid and Protein Solutions", Research Signpost Full text (PDF) Dmitry Nerukh, Vladimir Ryabov, and Robert C. Glen, Complex temporal patterns in molecular dynamics: a direct measure of the phase space exploration by the trajectory at macroscopic time scales, Phys. Rev. E, 77, 036225 (2008) Full text (PDF) (reproduced in Virtual Journal of Biological Physics Research, 15(7), (2008)) Christian H. Jensen, Dmitry Nerukh, and Robert C. Glen, Sensitivity of peptide conformational dynamics on clustering of a classical molecular dynamics trajectory, J. Chem. Phys., 128, 115107 (2008) Full text (PDF) (reproduced in Virtual Journal of Biological Physics Research, 15(7), (2008)) Anatoliy V. Luzanov and Dmitry Nerukh, Simple One-Electron Invariants of Molecular Chirality, J. Math. Chem., 41(4), 417-435 (2007) Full text (PDF) cited: 1 time* Dmitry Nerukh, George Karvounis, and Robert C. Glen, Dynamic complexity of chaotic transitions in high-dimensional classical dynamics: Leu-Enkephalin folding, Lecture Notes in Bioinformatics (LNBI), 4216, 129-140 (2006) Full text (PDF) A.V. Luzanov and Dmitry Nerukh, Complexity and Chirality Indices for Molecular Informatics: Differential Geometry Approach, Functional materials, 12(1), 55-64 (2005) Full text (PDF) Dmitry Nerukh, George Karvounis, and Robert C. Glen, Quantifying the complexity of chaos in multi-basin multidimensional dynamics of molecular systems, Complexity, 10(2), 40-46 (2004) Full text (PDF) George Karvounis, Dmitry Nerukh, and Robert C. Glen, Water network dynamics at the critical moment of a peptide's beta-turn formation: an MD study, J. Chem. Phys., 121(10), 4925-4935 (2004), Full text (PDF) cited: 6 times* (reproduced in Virtual Journal of Biological Physics Research, 8(5), (2004)) Dmitry Nerukh and Trevor R. Griffiths, Real and imaginary parts of the vibrational relaxation of acetonitrile in its electrolyte solutions: new results for the dynamics of solvent molecules, Journal of Molecular Liquids, 109(2), 83-97 (2004). Full text (PDF) Natalie N. Ruzhitskaya, Alexander G. Nerukh, and Dmitry Nerukh, Accurate modelling of pulse transformation by adjustable-in-time medium parameters, Optical and Quantum Electronics, 35(4), 347-364 (2003). Full text (PDF) Dmitry Nerukh, George Karvounis, and Robert C. Glen, Complexity of classical dynamics of molecular systems. Part II: finite statistical complexity of a water-Na+ system, J. Chem. Phys., 117(21), 9618-9622 (2002). Full text (PDF) cited: 2 times* (reproduced in Virtual Journal of Biological Physics Research, 4(10), (2002)) Dmitry Nerukh, George Karvounis, and Robert C. Glen, Complexity of classical dynamics of molecular systems. Part I: methodology, J. Chem. Phys., 117(21), 9611-9617 (2002). Full text (PDF) cited: 1 times* Dmitry Nerukh and Trevor R. Griffiths, Complex vibrational correlation functions extracted from the resolved 2 band of liquid acetonitrile, Phys. Chem. Chem. Phys., 3(10), 1799 - 1805 (2001). Abstract, Full text (PDF) Dmitry Nerukh and John H. Frederick, Multidimensional quantum dynamics with trajectories: a novel numerical implementation of Bohmian mechanics, Chem. Phys. Lett., 332(1-2), 145-153 (2000). Abstract, Full text (PDF) cited: 36 times* Trevor R. Griffiths, Dmitry A. Nerukh and Sergey A. Eremenko, The application of theoretical models of complex shape to the fitting of experimental spectra having closely overlapping bands, Phys. Chem. Chem. Phys., 1(14), 3199-3208 (1999). Abstract, Full text (PDF) cited: 5 times* rated as one of the most frequently online accessed PCCP paper of the month A.A. Avdeenko, V.V. Eremenko, N.I. Gorbenko, P.V. Zinovev, D.A. Nerukh, A.T. Pugachev, N.B. Silaeva, Yu.A. Tiunov, and N.P. Churakova, Luminescence of thin films of C60 at low temperatures, Sverkhtverdyye materialy (Superhard materials), 3, 54-60 (1997). Abstract, Full text (PDF) (in Russian) S.A. Eremenko, D.A. Nerukh, and O.N. Kalugin, Dynamic parameters of acetonitrile molecule from the analysis of band shape of its Raman spectrum, Proc. Kharkov Univ., Chemistry, 1, 34-43 (1997). Full text (PDF) (in Russian) Alexander G. Nerukh, Igor V. Scherbatko, and Dmitriy A. Nerukh, Using evolutionary recursion to solve an electromagnetic problem with time-varying parameters, Microwave and Opt. Technology Lett., 14(1), 31-36 (1997). Abstract, Full text (PDF) cited: 1 times* O.N. Kalugin, D.A. Nerukh, S.A. Eremenko, A.V. Vankevich, and A.G. Nerukh, Dynamics of acetonitrile molecules in electrolyte solutions by Raman spectroscopy, Zhurn. Neorg. Khimii (Russ. J. Inorg. Chem.), 41(2), 261-271 (1996). Abstract, Full text (PDF) (in Russian) Oleg N. Kalugin, Dmitry A. Nerukh, Ivan N. Vyunnik, Elena G. Otlejkina, Yurij N. Surov, and Nikolaj S. Pivnenko, IR and NMR studies of hydrogen bonding in hexan-1-ol-tetrabutilammonium iodide solutions in the temperature range 28-145°C and in tetrachloromethane, J. Chem. Soc. Faraday Trans., 90(2), 297-303 (1994). Abstract, Full text (PDF) S.M. Gubsky, I.N. Vyunnik, and D.A. Nerukh, Temperature dependence of equilibrium and transport properties of 1-1 electrolytes in 1-propanol. I. Limiting molar conductivities and association constants, Zhurn. Fiz. Khimii (Russ. J. Phys. Chem.), 65(1), 114-119 (1991). Abstract, Full text (PDF) (in Russian) cited: 2 times* * number of citations is given according to ISI Web of Knowledge and excludes self-citations

16 Oct 2009 EXIT