Energy matrix of structurally important side-chain/side-chain interactions in proteins

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F10%3A10212102" target="_blank" >RIV/61989592:15310/10:10212102 - isvavai.cz</a>
Alternative codes found
RIV/61388963:_____/10:00351179
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Energy matrix of structurally important side-chain/side-chain interactions in proteins
Original language description
The interactions between amino acid side chains in proteins are generally considered to be the most important stabilizing factor controlling protein structure. We used the RI-DFT-D method to calculate the full 20 x 20 matrix of interaction energies between all pairs of amino acid side chains. We find that all of the calculated interaction energies between selected pairs of amino acids are attractive in the gas phase with the exception of side chain pairs having the same total charge. The histograms of interaction energies showedthat the distributions of the interaction energies are neither normal nor Boltzmann-like. We concluded that cluster representatives obtained by the clusterization algorithm based on geometry criteria seem to epitomize the strongest interactions in a protein and are often functionally or structurally important.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2010
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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