Quantifying the complexity of chaos in multibasin multidimensional dynamics of molecular systems. - Dmitry Nerukh; George Karvounis; Robert C. Glen (Complex., 2004)

Dynamic Complexity of Chaotic Transitions in High-Dimensional Classical Dynamics: Leu-Enkephalin Folding. - Dmitry Nerukh; George Karvounis; Robert C. Glen (CompLife, 2006)

Molecular Dynamics implementation of BN2D or 'Mercedes Benz' water model. - Arturs Scukins; Vitaliy Bardik; Evgen Pavlov; Dmitry Nerukh (Comput. Phys. Commun., 2015)

Two-phase flow analogy as an effective boundary condition for modelling liquids at atomistic resolution. - Ivan Korotkin; Dmitry Nerukh; Elvira Tarasova; Vladimir Farafonov; Sergey A. Karabasov (J. Comput. Sci., 2016)