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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F08%3A00314772%21RIV09-AV0-61388963
rdf:type
skos:Concept n11:Vysledek
dcterms:description
Proline–tryptophan complexes derived from experimental structures are investigated by quantum chemical procedures known to properly describe the London dispersion energy. To elucidate the structural features responsible for this unexpectedly large stabilization we examined the role of the nitrogen heteroatom and the importance of the cyclicity of the proline residue. We show that the electrostatic interaction due to the presence of the dipole, caused by the nitrogen heteroatom, contributes largely to the strength of the interaction. Proline–tryptophan complexes derived from experimental structures are investigated by quantum chemical procedures known to properly describe the London dispersion energy. To elucidate the structural features responsible for this unexpectedly large stabilization we examined the role of the nitrogen heteroatom and the importance of the cyclicity of the proline residue. We show that the electrostatic interaction due to the presence of the dipole, caused by the nitrogen heteroatom, contributes largely to the strength of the interaction. Komplex tryptophane a prolinu získaný z experimentálních struktur byl zkoumán procedurami kvantové chemie schopnými popsat Londonovu disperzní energii. Pro potvrzení strukturálních a energetických rysů zodpovědných za tuto extrémní stabilizaci byla studována role dusíkového heteroatomu a cyklizace sturkury. Ukazujeme, že elektrostatické interakce způsobené dipólovým momentem dusíku přispívají nejvíce k této stabilizaci.
dcterms:title
Jiná úloha prolinu: stabilizační nterakce v proteinech a proteinových komlexech zahrnující prolin a tryptophane Another role of proline: stabilization interactions in proteins and protein complexes concerning proline and tryptophane Another role of proline: stabilization interactions in proteins and protein complexes concerning proline and tryptophane
skos:prefLabel
Another role of proline: stabilization interactions in proteins and protein complexes concerning proline and tryptophane Jiná úloha prolinu: stabilizační nterakce v proteinech a proteinových komlexech zahrnující prolin a tryptophane Another role of proline: stabilization interactions in proteins and protein complexes concerning proline and tryptophane
skos:notation
RIV/61388963:_____/08:00314772!RIV09-AV0-61388963
n3:aktivita
n14:Z n14:P
n3:aktivity
P(GA203/06/1727), P(GD203/05/H001), P(IAA400550510), P(LC512), Z(AV0Z40550506), Z(AV0Z50520701)
n3:cisloPeriodika
42
n3:dodaniDat
n15:2009
n3:domaciTvurceVysledku
n5:2785056 n5:4936094 n5:2932016 n5:7358946 Riley, Kevin Eugene
n3:druhVysledku
n17:J
n3:duvernostUdaju
n13:S
n3:entitaPredkladatele
n18:predkladatel
n3:idSjednocenehoVysledku
356358
n3:idVysledku
RIV/61388963:_____/08:00314772
n3:jazykVysledku
n16:eng
n3:klicovaSlova
proline; stabilization interaction; an-initio methods
n3:klicoveSlovo
n8:proline n8:an-initio%20methods n8:stabilization%20interaction
n3:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n3:kontrolniKodProRIV
[823B318DEDF0]
n3:nazevZdroje
Physical Chemistry Chemical Physics
n3:obor
n12:CF
n3:pocetDomacichTvurcuVysledku
5
n3:pocetTvurcuVysledku
5
n3:projekt
n4:GA203%2F06%2F1727 n4:LC512 n4:IAA400550510 n4:GD203%2F05%2FH001
n3:rokUplatneniVysledku
n15:2008
n3:svazekPeriodika
10
n3:tvurceVysledku
Hobza, Pavel Bendová, Lada Vondrášek, Jiří Riley, Kevin Eugene Berka, Karel
n3:wos
000260485600002
n3:zamer
n10:AV0Z50520701 n10:AV0Z40550506
s:issn
1463-9076
s:numberOfPages
10