Computational Molecular Modeling Techniques of
Biomacromolecular Systems

C 2018

Computational Molecular Modeling Techniques of Biomacromolecular Systems

HRITZ, Jozef and Arnošt MLÁDEK

Basic information

Original name

Computational Molecular Modeling Techniques of Biomacromolecular Systems

Authors

HRITZ, Jozef (703 Slovakia, guarantor, belonging to the institution) and Arnošt MLÁDEK (203 Czech Republic, belonging to the institution)

Edition

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

Publisher

SPRINGER INT PUBLISHING AG

Other information

Language

English

Type of outcome

Kapitola resp. kapitoly v odborné knize

Field of Study

10400 1.4 Chemical sciences

Country of publisher

Switzerland

Confidentiality degree

není předmětem státního či obchodního tajemství

Publication form

electronic version available online

References:

URL

RIV identification code

RIV/00216224:14740/18:00103861

Organization unit

Central European Institute of Technology

ISBN

978-3-319-91352-0

DOI

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

Keywords in English

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

Abstract

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.

Links

LQ1601, research and development project

Name: CEITEC 2020 (Acronym: CEITEC2020)

Investor: Ministry of Education, Youth and Sports of the CR

Citovat

HRITZ, Jozef and Arnošt MLÁDEK. Computational Molecular Modeling Techniques of Biomacromolecular Systems. Online. In Jan Hejátko, Toshio Hakoshima. 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.

@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.

Detailed Information on Publication Record