@ARTICLE{Shvetsov20131124,
author={Shvetsov, A.V. and Schmidt, A.E. and Lebedev, D.V. and Isaev-Ivanov, V.V.},
title={Method for calculating small-angle neutron scattering spectra using all-atom molecular dynamics trajectories},
journal={Journal of Surface Investigation},
year={2013},
volume={7},
number={6},
pages={1124-1127},
doi={10.1134/S1027451013060372},
note={cited By 5},
url={https://www.scopus.com/inward/record.uri?eid=2-s2.0-84894624021&doi=10.1134%2fS1027451013060372&partnerID=40&md5=9c21ae53478b9b2390b81ac4210dddc2},
affiliation={Petersburg Institute for Nuclear Physics, National Research Center Kurchatov Institute, Gatchina, Leningrad oblast, Russian Federation},
abstract={A method for calculating small-angle neutron scattering (SANS) spectra based on data obtained using the method of the all-atom molecular dynamics of biomacromolecular structures is considered. When interpreting the SANS data, this approach makes it possible to take into account the fact that the structure of biomacromolecules in a solution is not a static object. This method is implemented in the form of a module for the GROMACS software package and will be available in version 4.6 of this popular program package for simulating biomacromolecular-structure dynamics. © 2013 Pleiades Publishing, Ltd.},
correspondence_address1={Shvetsov, A. V.; Petersburg Institute for Nuclear Physics, National Research Center Kurchatov Institute, Gatchina, Leningrad oblast, Russian Federation; email: alexxy@omrb.pnpi.spb.ru},
issn={10274510},
language={English},
abbrev_source_title={J. Surf. Invest.},
document_type={Article},
source={Scopus},
}

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