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rdf:type
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Description
| - We are proposing an interresidue interaction energy map (IEM) – a new tool for protein structure analysis and protein bioinformatics. This approach employs the sum of pair-wise interaction energies of a particular residue as a measure of its structural importance. For the theoretical adjustment of the proposed method, we chose the Trp-cage mini protein as a model system to compare a spectrum of computational methods ranging from the ab initio MP2 level through the DFT method to empirical forcefield methods. The IEM method correctly identifies Tryptophane 6 as the key residue in the Trpcage. The other residues with the highest stabilizing contributions correspond to the structurally important positions in the protein.
- We are proposing an interresidue interaction energy map (IEM) – a new tool for protein structure analysis and protein bioinformatics. This approach employs the sum of pair-wise interaction energies of a particular residue as a measure of its structural importance. For the theoretical adjustment of the proposed method, we chose the Trp-cage mini protein as a model system to compare a spectrum of computational methods ranging from the ab initio MP2 level through the DFT method to empirical forcefield methods. The IEM method correctly identifies Tryptophane 6 as the key residue in the Trpcage. The other residues with the highest stabilizing contributions correspond to the structurally important positions in the protein. (en)
- Navrhujeme využití interreziduální matice interakčních energií jako nástroj pro analýbu a bioinformatiku proteinů. Tato metoda využívá sumace párových interakcí dané aminokyseliny jako měřítka její strukturální důležitosti. Tento postup demonstrujeme na příkladu Trp-cage mini proteinu jako modelového sytému a srovnáváme různé druhy výpočetních metod. IEM metoda správně identifikovala tryptophane jako klíčové reziduum v tomto proteinu. (cs)
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Title
| - Identifying stabilizing key residues in proteins using interresidue interaction energy matrix
- Identifikace klíčových reziduí pro stabilizaci proteinu použitím matice interakční energie (cs)
- Identifying stabilizing key residues in proteins using interresidue interaction energy matrix (en)
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skos:prefLabel
| - Identifying stabilizing key residues in proteins using interresidue interaction energy matrix
- Identifikace klíčových reziduí pro stabilizaci proteinu použitím matice interakční energie (cs)
- Identifying stabilizing key residues in proteins using interresidue interaction energy matrix (en)
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skos:notation
| - RIV/61388963:_____/08:00314780!RIV09-AV0-61388963
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(GA203/05/0009), P(GA203/06/1727), P(GD203/05/H001), P(LC512), Z(AV0Z40550506)
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/61388963:_____/08:00314780
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - protein stabilisation; an-initio calculation; interaction energy (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - US - Spojené státy americké
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - Proteins-Structure, Function and Bioinformatics
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Hobza, Pavel
- Vondrášek, Jiří
- Bendová, Lada
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http://linked.open...ain/vavai/riv/wos
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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is http://linked.open...avai/riv/vysledek
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