About: Communication Maps: Exploring Energy Transport through Proteins and Water

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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	Frequency-resolved communication maps provide a coarse-grained, global mapping of energy transport channels in a protein as a function of frequency of modes that carry energy. We illustrate the approach with a study of the homodimeric hemoglobin of Scapharca inaequivalvis, which exhibits cooperativity during ligand binding. We compare energy transport between the two hemes of the unliganded and oxygenated protein, which is mediated by water as well as residues forming a hydrogen-bonding network at the interface between the globules, and lies along the pathway for allosteric transitions observed in time-resolved X-ray studies. Non-equilibrium molecular simulations on energy transport from the heme corroborate the energy transport pathways identified by the communication maps. Frequency-resolved communication maps provide a coarse-grained, global mapping of energy transport channels in a protein as a function of frequency of modes that carry energy. We illustrate the approach with a study of the homodimeric hemoglobin of Scapharca inaequivalvis, which exhibits cooperativity during ligand binding. We compare energy transport between the two hemes of the unliganded and oxygenated protein, which is mediated by water as well as residues forming a hydrogen-bonding network at the interface between the globules, and lies along the pathway for allosteric transitions observed in time-resolved X-ray studies. Non-equilibrium molecular simulations on energy transport from the heme corroborate the energy transport pathways identified by the communication maps. (en)
Title	Communication Maps: Exploring Energy Transport through Proteins and Water Communication Maps: Exploring Energy Transport through Proteins and Water (en)
skos:prefLabel	Communication Maps: Exploring Energy Transport through Proteins and Water Communication Maps: Exploring Energy Transport through Proteins and Water (en)
skos:notation	RIV/61388963:_____/14:00435027!RIV15-AV0-61388963
http://linked.open...avai/riv/aktivita	I
http://linked.open...avai/riv/aktivity	I
http://linked.open...iv/cisloPeriodika	8/9
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Gnanasekaran, Ramachandran
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	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	7879
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/14:00435027
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	energy transfer; heme proteins; hydrogen bonds; molecular modeling; protein models (en)
http://linked.open.../riv/klicoveSlovo	molecular modeling energy transfer hydrogen bonds heme proteins protein models
http://linked.open...odStatuVydavatele	IL - Stát Izrael
http://linked.open...ontrolniKodProRIV	[F148597D8E8B]
http://linked.open...i/riv/nazevZdroje	Israel Journal of Chemistry
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	54
http://linked.open...iv/tvurceVysledku	Gnanasekaran, Ramachandran Agbo, J. K. Leitner, D. M.
http://linked.open...ain/vavai/riv/wos	000342796500004
issn	0021-2148
number of pages	9 (xsd:int)
http://bibframe.org/vocab/doi	10.1002/ijch.201300139

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