Using the molecular dynamics simulation and neutron scattering methods to study structural and functional properties of biological macromolecules. Shvetsov, A., Lebedev, D., & Isaev-Ivanov, V. Nova Science Publishers, Inc., 2015. cited By 0![Using the molecular dynamics simulation and neutron scattering methods to study structural and functional properties of biological macromolecules [link]](https://bibbase.org/img/filetypes/link.svg "link")
Paper abstract bibtex Molecular Dynamics (MD) simulations were used together with existing X-ray structures to build the structures of RecA proteins[10, 2]. We built missing loops L1 and L2 of RecA from D. radiodurans using ICM[11, 12] homology and loop modeling modules. The structure verification via SANS experiments was performed to build realistic all-atom models of quite large macromolecular multicomponent complexes like it was done for RecA::RecX::ssDNA and RecX::ssDNA complexes (this structure was predicted via MM and MD and then verified by SANS). © 2015 by Nova Science Publishers, Inc. All rights reserved.
@BOOK{Shvetsov201511,
author={Shvetsov, A. and Lebedev, D. and Isaev-Ivanov, V.},
title={Using the molecular dynamics simulation and neutron scattering methods to study structural and functional properties of biological macromolecules},
journal={Computational Materials and Biological Sciences},
year={2015},
pages={11-23},
note={cited By 0},
url={https://www.scopus.com/inward/record.uri?eid=2-s2.0-84960307812&partnerID=40&md5=d2c8565fcaa12dcde34f3de979499b68},
affiliation={FSBI Petersburg Nuclear Physics Institute, NRC Kurchatov Institute, Gatchina, Russian Federation; Institute of Applied Mathematics and Mechanics, St. Petersburg State Polytechnical University, Saint-Petersburg, Russian Federation},
abstract={Molecular Dynamics (MD) simulations were used together with existing X-ray structures to build the structures of RecA proteins[10, 2]. We built missing loops L1 and L2 of RecA from D. radiodurans using ICM[11, 12] homology and loop modeling modules. The structure verification via SANS experiments was performed to build realistic all-atom models of quite large macromolecular multicomponent complexes like it was done for RecA::RecX::ssDNA and RecX::ssDNA complexes (this structure was predicted via MM and MD and then verified by SANS). © 2015 by Nova Science Publishers, Inc. All rights reserved.},
author_keywords={Dynamics; Full-Atom Structure; MD Modeling; RecA and RecX Complexes; Veryfication},
correspondence_address1={Shvetsov, A.; FSBI Petersburg Nuclear Physics Institute, NRC Kurchatov InstituteRussian Federation; email: alexxy@omrb.pnpi.spb.ru},
publisher={Nova Science Publishers, Inc.},
isbn={9781634825719; 9781634825412},
language={English},
abbrev_source_title={Comput. Mater. and Biol. Sci.},
document_type={Book Chapter},
source={Scopus},
}
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