Solution-state NMR relaxation experiments {are the|would be the|will be the} cornerstone to study internalprotein dynamics at atomic resolution on time scales {that are|which are|which can be|which might be|that happen to be} {faster|quicker|more quickly|more rapidly} than the overallrotational tumbling time,τR. {Since the|Because the} motions described by NMR relaxation pa-rameters are connected to thermodynamic quantities like conformational entropies, thequestion arises {how much|just how much} {of the|from the|in the|on the|with the|of your} total entropy is contained {within|inside} this tumbling time.{Using|Utilizing|Making use of|Employing|Working with|Applying} all-atom molecular dynamics (MD) simulations of T4 lysozyme, we {found|discovered|identified|located} thatentropy build-up is rather {fast|quick|quickly|rapidly|rapid|speedy} for the backbone, such that the majority {of the|from the|in the|on the|with the|of your} entropyis {indeed|certainly} contained {in the|within the|inside the} short-time dynamics. In contrast, the contribution of slowdynamics of side chains on time scales beyondτRon the side chain conformationalentropy is {significant|substantial|considerable|important} and {should|ought to|must|need to|really should|should really} be taken into account for the extraction of accuratethermodynamic properties. Fmoc-L-Lys (Boc)-OH In stock 4-(Difluoromethyl)-3-fluorobenzoic acid supplier PMID:23667820
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