Andrey Solovyov : Structure and dynamics of MesoBioNano systems unraveled with MBN Explorer (IRSAMC - 2 novembre 2015)

Andrey V. Solov’yov

MBN Research Center, Altenhöferallee 3, 60438 Frankfurt am Main, Germany
A.F Ioffe Physical Technical Institute, Russian Academy of Sciences, Polytechicheskaya 26, St. Petersburg, Russia.

Synopsis : There will be presented the universal software package MBN Explorer and its applications for studies of structure and dynamics of MesoBioNano (MBN) systems.

MBN Explorer [1] is a multi-purpose software package designed to study structure and dynam-ics of molecular systems of various degrees of complexity. A broad variety of interatomic poten-tials implemented in the MBN Explorer allows to simulate the structure and dynamics of different molecular systems, such as atomic clusters [2], fullerenes [3], nanotubes [4], metallic nano-materials [5], proteins and DNA [6], crystals [7] composite bio-nano systems and nanofractals [8-10]. A distinct feature of the package, which makes it significantly different from other codes, is in its universality and implemented multiscale features that make it applicable to really a broad range of problems involving complex molecular systems. Fig. 1 Illustration of different areas of applica-tion of MBN Explorer [1]. The talk will give an overview of the main features of the package and will highlight a num-ber of recent case studies of structure and dy-namics of MesoBioNano systems carried out with the use of MBN Explorer some of which are illustrated in Fig.1.

Illustration of different areas of applica-tion of MBN Explorer

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