Computational Molecular Modeling Techniques of Biomacromolecular Systems

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F18%3A00103861" target="_blank" >RIV/00216224:14740/18:00103861 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1007/978-3-319-91352-0_15" target="_blank" >http://dx.doi.org/10.1007/978-3-319-91352-0_15</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/978-3-319-91352-0_15" target="_blank" >10.1007/978-3-319-91352-0_15</a>

Result language
angličtina
Original language name
Computational Molecular Modeling Techniques of Biomacromolecular Systems
Original language description
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.
Czech name
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Czech description
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Project
<a href="/en/project/LQ1601" target="_blank" >LQ1601: CEITEC 2020</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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