New path planning method for computation of constrained dynamic channels in proteins

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14330%2F11%3A00051905" target="_blank" >RIV/00216224:14330/11:00051905 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
New path planning method for computation of constrained dynamic channels in proteins
Original language description
Collision-free paths in the geometric model of a protein molecule reveal various dependencies between the structure of the molecule and its function. The paths which connect a biochemically important part of the protein molecule with the surface of the molecule can serve as egression or access paths for small molecules which react in the active site. The geometric method introduced in this paper is designed to compute such paths in the dynamic models of protein molecules. The paths have to satisfy additional constraints such as valid flow of time which allows us to distinguish between access and egression paths, minimum width and others. Possibly, the method may be used not only for protein molecules but also for similar environments with high densityof spherical obstacles. The method was tested on real protein data and the results indicate that if there is a path present, it is detected by our method.
Czech name
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Czech description
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Project
<a href="/en/project/LC06008" target="_blank" >LC06008: Center of Computer Graphics</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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