Computational Molecular Modeling Techniques of
Biomacromolecular Systems

C 2018

Computational Molecular Modeling Techniques of Biomacromolecular Systems

HRITZ, Jozef a Arnošt MLÁDEK

Základní údaje

Originální název

Computational Molecular Modeling Techniques of Biomacromolecular Systems

Autoři

HRITZ, Jozef (703 Slovensko, garant, domácí) a Arnošt MLÁDEK (203 Česká republika, domácí)

Vydání

1. vyd. CHAM, Plant Structural Biology: Hormonal Regulations, od s. 295-322, 28 s. n/a, 2018

Nakladatel

SPRINGER INT PUBLISHING AG

Další údaje

Jazyk

angličtina

Typ výsledku

Kapitola resp. kapitoly v odborné knize

Obor

10400 1.4 Chemical sciences

Stát vydavatele

Švýcarsko

Utajení

není předmětem státního či obchodního tajemství

Forma vydání

elektronická verze "online"

Odkazy

URL

Kód RIV

RIV/00216224:14740/18:00103861

Organizační jednotka

Středoevropský technologický institut

ISBN

978-3-319-91352-0

DOI

http://dx.doi.org/10.1007/978-3-319-91352-0_15

Klíčová slova anglicky

Molecular biology Plant development Signal transduction Arabidopsis X-ray crystallography NMR SAXS Molecular dynamics simulations

Štítky

rivok, topvydavatel

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 11. 3. 2019 10:38, Mgr. Pavla Foltynová, Ph.D.

Anotace

V originále

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.

Návaznosti

LQ1601, projekt VaV

Název: CEITEC 2020 (Akronym: CEITEC2020)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, CEITEC 2020

Citovat

HRITZ, Jozef a Arnošt MLÁDEK. Computational Molecular Modeling Techniques of Biomacromolecular Systems. Online. In Jan Hejátko, Toshio Hakoshima. Plant Structural Biology: Hormonal Regulations. 1. vyd. CHAM: SPRINGER INT PUBLISHING AG, 2018, s. 295-322. n/a. ISBN 978-3-319-91352-0. Dostupné z: https://dx.doi.org/10.1007/978-3-319-91352-0_15.

@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 a Arnošt MLÁDEK. Computational Molecular Modeling Techniques of Biomacromolecular Systems. Online. In Jan Hejátko, Toshio Hakoshima. \textit{Plant Structural Biology: Hormonal Regulations}. 1. vyd. CHAM: SPRINGER INT PUBLISHING AG, 2018, s.~295-322. n/a. ISBN~978-3-319-91352-0. Dostupné z: https://dx.doi.org/10.1007/978-3-319-91352-0\_{}15.

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