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@inbook{1443152,
author = {Hritz, Jozef and Mládek, Arnošt},
address = {CHAM},
booktitle = {Plant Structural Biology: Hormonal Regulations},
doi = {http://dx.doi.org/10.1007/978-3-319-91352-0_15},
edition = {1},
editor = {Jan Hejátko, Toshio Hakoshima},
keywords = {Molecular biology Plant development Signal transduction Arabidopsis X-ray crystallography NMR SAXS Molecular dynamics simulations},
howpublished = {elektronická verze "online"},
language = {eng},
location = {CHAM},
isbn = {978-3-319-91352-0},
pages = {295-322},
publisher = {SPRINGER INT PUBLISHING AG},
title = {Computational Molecular Modeling Techniques of Biomacromolecular Systems},
url = {https://link.springer.com/chapter/10.1007/978-3-319-91352-0_15},
year = {2018}
}
TY - CHAP
ID - 1443152
AU - Hritz, Jozef - Mládek, Arnošt
PY - 2018
TI - Computational Molecular Modeling Techniques of Biomacromolecular Systems
VL - n/a
PB - SPRINGER INT PUBLISHING AG
CY - CHAM
SN - 9783319913520
KW - Molecular biology Plant development Signal transduction Arabidopsis X-ray crystallography NMR SAXS Molecular dynamics simulations
UR - https://link.springer.com/chapter/10.1007/978-3-319-91352-0_15
N2 - Computational simulations are used to study the structural and dynamics properties of biomoleculer systems at atomistic resolution. Morover, the simuations also allow to access the energetics of studied systems that can be applied in free energy calculations. Free energy determines the thermodynamic stability and solubility of biomoleclacues in given solution, their affinities towards another biomolecules and their populations in available conformational states. Traditional molecular dynamics simulations of biomacromolecules in explicit water solvent technique are currently restricted to the microseconds time scale but this limitation can be overcome by variety of enhanced sampling computational simulations.
ER -
HRITZ, Jozef and Arnošt MLÁDEK. Computational Molecular Modeling Techniques of Biomacromolecular Systems. Online. In Jan Hejátko, Toshio Hakoshima. \textit{Plant Structural Biology: Hormonal Regulations}. 1st ed. CHAM: SPRINGER INT PUBLISHING AG, 2018, p.~295-322. n/a. ISBN~978-3-319-91352-0. Available from: https://dx.doi.org/10.1007/978-3-319-91352-0\_{}15.
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