About: Conformational features of linear and cyclic enkephalins. A computational study.

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About: Conformational features of linear and cyclic enkephalins. A computational study. Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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 (en)
Title	Conformational features of linear and cyclic enkephalins. A computational study. Conformational features of linear and cyclic enkephalins. A computational study. (en)
skos:prefLabel	Conformational features of linear and cyclic enkephalins. A computational study. Conformational features of linear and cyclic enkephalins. A computational study. (en)
skos:notation	RIV/00216224:14310/01:00004182!RIV/2002/MSM/143102/N
http://linked.open.../vavai/riv/strany	231
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(MSM 143100005)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2002
http://linked.open...aciTvurceVysledku	Koča, Jaroslav Kříž, Zdeněk
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Masarykova univerzita / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	676265
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/01:00004182
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	enkephalins, DLFE, DPDPE, conformational flexibility, clustering (en)
http://linked.open.../riv/klicoveSlovo	clustering DLFE DPDPE conformational flexibility enkephalins
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[36A0C96044CE]
http://linked.open...i/riv/nazevZdroje	Journal of Molecular Structure (Theochem)
http://linked.open...in/vavai/riv/obor	BO
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...UplatneniVysledku	2001
http://linked.open...v/svazekPeriodika	540
http://linked.open...iv/tvurceVysledku	Koča, Jaroslav Kříž, Zdeněk Carlsen, Per H. J.
http://linked.open...n/vavai/riv/zamer	http://linked.opendata.cz/resource/domain/vavai/zamer/MSM%20143100005
issn	0166-1280
number of pages	20 (xsd:int)
http://localhost/t...ganizacniJednotka	14310

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