Molecular dynamics simulation of peeling a DNA molecule on substrate

(整期优先)网络出版时间:2005-03-13
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Moleculardynamics(MD)simulationsareperformedtostudyadhesionandpeelingofashortfragmentofsinglestrandDNA(ssDNA)moleculefromagraphitesurface.Thecriticalpeel-offforceisfoundtodependonboththepeelingangleandtheelasticityofssDNA.FortheshortssDNAstrandunderinvestigation,weshowthatthesimulationresultscanbeexplainedbyacontinuummodelofanadhesiveelasticbandonsubstrate.Theanalysissuggeststhatitisoftenthepeakvalue,ratherthanthemeanvalue,ofadhesionenergywhichdeterminesthepeelingofananoscalematerial.