Molecular Mechanics of the α-Actinin Rod Domain Bending, Torsional, and Extensional Behavior 英文参考文献.docVIP

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Molecular Mechanics of the α-Actinin Rod Domain Bending, Torsional, and Extensional Behavior 英文参考文献.doc

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Molecular Mechanics of the α-Actinin Rod Domain Bending, Torsional, and Extensional Behavior 英文参考文献

MolecularMechanicsofthea-ActininRodDomain: Bending,Torsional,andExtensionalBehavior JavadGolji,RobertCollins,MohammadR.K.Mofrad* MolecularCellBiomechanicsLaboratory,UniversityofCaliforniaBerkeley,Berkeley,California,UnitedStatesofAmerica Abstract a-Actininisanactincrosslinkingmoleculethatcanserveasascaffoldandmaintaindynamicactinfilamentnetworks.Asa crosslinker in thestressed cytoskeleton, a-actinincanretain conformation, function, and strength. a-Actinin has anactin binding domain and a calmodulin homology domain separated by a long rod domain. Using molecular dynamics and normalmodeanalysis,wesuggestthatthea-actininroddomainhasflexibleterminalregionswhichcantwistandextend undermechanicalstress,yethasahighlyrigidinteriorregionstabilizedbyaromaticpackingwithineachspectrinrepeat,by electrostaticinteractionsbetweenthespectrinrepeats,andbystrongsaltbridgesbetweenitstwoanti-parallelmonomers. Byexploringthenaturalvibrationsofthea-actininroddomainandbyconductingbendingmoleculardynamicssimulations wealsopredictthatbendingoftheroddomainispossiblewithminimalforce.Weintroducecomputationalmethodsfor analyzingthetorsionalstrainofmoleculesusingrotatingconstraints.Moleculardynamicsextensionofthea-actininrodis alsoperformed,demonstratingtransductionoftheunfoldingforcesacrosssaltbridgestotheassociatedmonomerofthea- actininroddomain. Citation:GoljiJ,CollinsR,MofradMRK(2009)MolecularMechanicsofthea-ActininRodDomain:Bending,Torsional,andExtensionalBehavior.PLoSComput Biol5(5):e1000389.doi:10.1371/journal.pcbi.1000389 Editor:JamesM.Briggs,UniversityofHouston,UnitedStatesofAmerica ReceivedAugust18,2008;AcceptedApril15,2009;PublishedMay15,2009 Copyright:?2009Goljietal.Thisisanopen-accessarticledistributedunderthetermsoftheCreativeCommonsAttributionLicense,whichpermitsunrestricted use,distribution,andreproductioninanymedium,providedtheoriginalauthorandsourcearecredited. Funding:Theauthorsreceivednospecificfundingforthisstudy. CompetingInterests:Theauthorshavedeclaredthatnocompetinginter