About: Synergy of molecular dynamics and isothermal titration calorimetry in studies of Allostery

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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	Despite decades of intensive study, allosteric effects have eluded an intellectually satisfying integrated understanding that includes a description of the reaction coordinate in terms of species distributions of structures and free energy levels in the conformational ensemble. This chapter illustrates a way to fill this gap by interpreting thermodynamic and structural results through the lens of molecular dynamics simulation analysis to link atomic-level detail with global response. In this synergistic approach molecular dynamics forms an integral part of a feedback loop of hypothesis, experimental design, and interpretation that conforms to the scientific method. Despite decades of intensive study, allosteric effects have eluded an intellectually satisfying integrated understanding that includes a description of the reaction coordinate in terms of species distributions of structures and free energy levels in the conformational ensemble. This chapter illustrates a way to fill this gap by interpreting thermodynamic and structural results through the lens of molecular dynamics simulation analysis to link atomic-level detail with global response. In this synergistic approach molecular dynamics forms an integral part of a feedback loop of hypothesis, experimental design, and interpretation that conforms to the scientific method. (en)
Title	Synergy of molecular dynamics and isothermal titration calorimetry in studies of Allostery Synergy of molecular dynamics and isothermal titration calorimetry in studies of Allostery (en)
skos:prefLabel	Synergy of molecular dynamics and isothermal titration calorimetry in studies of Allostery Synergy of molecular dynamics and isothermal titration calorimetry in studies of Allostery (en)
skos:notation	RIV/67179843:_____/11:00373140!RIV12-AV0-67179843
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GAP207/10/1934), P(LC06010), Z(AV0Z60870520)
http://linked.open...iv/cisloPeriodika	-
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Ettrich, Rüdiger Melicherčík, Milan
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	Centrum výzkumu globální změny AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	233804
http://linked.open...ai/riv/idVysledku	RIV/67179843:_____/11:00373140
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	hexameric arginine repressor; DNA-binding domain; escherichia-coli; ligand-binding; bacillus-stearothhermophilus; proteins; systems; model; simulations; operator (en)
http://linked.open.../riv/klicoveSlovo	operator escherichia-coli model systems DNA-binding domain bacillus-stearothhermophilus hexameric arginine repressor ligand-binding proteins simulations
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[A5520B38DEEB]
http://linked.open...i/riv/nazevZdroje	Methods in Enzymology
http://linked.open...in/vavai/riv/obor	EH
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...vavai/riv/projekt	Center of Biocatalysis and Biotransformation Structural insight into E. coli protein WrbA, the founding member of a family of proteins implicated in defense of cells against oxidative stress
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	492
http://linked.open...iv/tvurceVysledku	Ettrich, Rüdiger Jin, L. Carey, J. Melicherčík, Milan Stockner, T. Strawn, R. Xue,, W. F.
http://linked.open...ain/vavai/riv/wos	000288227200005
http://linked.open...n/vavai/riv/zamer	Spatial and functional dynamics of biological, ecological and socio-economic systems interacting with global climatic change
issn	0076-6879
number of pages	38 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/B978-0-12-381268-1.00017-3

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