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Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F01%3A00004182%21RIV%2F2002%2FMSM%2F143102%2FN
rdf:type
n9:Vysledek skos:Concept
dcterms:description
A theoretical conformational study using the CICADA program package (J. Mol. Struct. (Theochem), 1995, 337, 17-24) was performed for two linear enkephalins, Leu-enkephalin and Met-enkephalin, and two cyclic analogues, DLFE and DPDPE. The conformational flexibilities of whole molecules and selected torsions were calculated. The low energy conformers obtained were compared with structures obtained by spectroscopic methods. The mutual space positions of key elements for receptor recognition were analyzed. Conformations were clustered using RMS deviation computed for selected atoms. The different conformational behavior of aromatic rings in cyclic analogues of enkephalins was observed. While aromatic rings of cyclic analogues exhibit different conformational behavior, the linear enkephalins show similar behavior in these key parts. Hydrogen bonds predicted by spectroscopic measurements were confirmed by our calculations. Also very specific conformational features, like concerted conformational movement A theoretical conformational study using the CICADA program package (J. Mol. Struct. (Theochem), 1995, 337, 17-24) was performed for two linear enkephalins, Leu-enkephalin and Met-enkephalin, and two cyclic analogues, DLFE and DPDPE. The conformational flexibilities of whole molecules and selected torsions were calculated. The low energy conformers obtained were compared with structures obtained by spectroscopic methods. The mutual space positions of key elements for receptor recognition were analyzed. Conformations were clustered using RMS deviation computed for selected atoms. The different conformational behavior of aromatic rings in cyclic analogues of enkephalins was observed. While aromatic rings of cyclic analogues exhibit different conformational behavior, the linear enkephalins show similar behavior in these key parts. Hydrogen bonds predicted by spectroscopic measurements were confirmed by our calculations. Also very specific conformational features, like concerted conformational movement
dcterms:title
Conformational features of linear and cyclic enkephalins. A computational study. Conformational features of linear and cyclic enkephalins. A computational study.
skos:prefLabel
Conformational features of linear and cyclic enkephalins. A computational study. Conformational features of linear and cyclic enkephalins. A computational study.
skos:notation
RIV/00216224:14310/01:00004182!RIV/2002/MSM/143102/N
n3:strany
231
n3:aktivita
n15:Z
n3:aktivity
Z(MSM 143100005)
n3:cisloPeriodika
1
n3:dodaniDat
n14:2002
n3:domaciTvurceVysledku
n6:9309616 n6:4347374
n3:druhVysledku
n17:J
n3:duvernostUdaju
n11:S
n3:entitaPredkladatele
n16:predkladatel
n3:idSjednocenehoVysledku
676265
n3:idVysledku
RIV/00216224:14310/01:00004182
n3:jazykVysledku
n4:eng
n3:klicovaSlova
enkephalins, DLFE, DPDPE, conformational flexibility, clustering
n3:klicoveSlovo
n7:conformational%20flexibility n7:DPDPE n7:DLFE n7:enkephalins n7:clustering
n3:kodStatuVydavatele
NL - Nizozemsko
n3:kontrolniKodProRIV
[36A0C96044CE]
n3:nazevZdroje
Journal of Molecular Structure (Theochem)
n3:obor
n18:BO
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
3
n3:pocetUcastnikuAkce
0
n3:pocetZahranicnichUcastnikuAkce
0
n3:rokUplatneniVysledku
n14:2001
n3:svazekPeriodika
540
n3:tvurceVysledku
Koča, Jaroslav Kříž, Zdeněk Carlsen, Per H. J.
n3:zamer
n5:MSM%20143100005
s:issn
0166-1280
s:numberOfPages
20
n13:organizacniJednotka
14310