PROTS-RF A Robust Model for Predicting Mutation-Induced Protein Stability Changes 英文参考文献.docVIP

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PROTS-RF A Robust Model for Predicting Mutation-Induced Protein Stability Changes 英文参考文献.doc

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PROTS-RF A Robust Model for Predicting Mutation-Induced Protein Stability Changes 英文参考文献

PROTS-RF:ARobustModelforPredictingMutation- InducedProteinStabilityChanges YunqiLi,JianwenFang* AppliedBioinformaticsLaboratory,TheUniversityofKansas,Lawrence,Kansas,UnitedStatesofAmerica Abstract Theabilitytoimproveproteinthermostabilityviaproteinengineeringisofgreatscientificinterestandalsohassignificant practical value. In this report we present PROTS-RF, a robust model based on the Random Forest algorithm capable of predictingthermostabilitychangesinducedbynotonlysingle-,butalsodouble-ormultiple-pointmutations.Themodelis builtusing41featuresincludingevolutionaryinformation,secondarystructure,solventaccessibilityandasetoffragment- basedfeatures.Itachievesaccuraciesof0.799,0.782,0.787,andareasunderreceiveroperatingcharacteristic(ROC)curvesof 0.873, 0.868 and 0.862 for single-, double- and multiple- point mutation datasets, respectively. Contrary to previous suggestions, our results clearly demonstrate that a robust predictive model trained for predicting single point mutation induced thermostability changes can be capable of predicting double and multiple point mutations. It also shows high levelsofrobustnessinthetestsusinghypotheticalreversemutations.Wedemonstratethattestingdatasetscreatedbased onphysicalprinciplescanbehighlyusefulfortestingtherobustnessofpredictivemodels. Citation: Li Y, Fang J (2012) PROTS-RF: A Robust Model for Predicting Mutation-Induced Protein Stability Changes. PLoS ONE 7(10): e47247. doi:10.1371/ journal.pone.0047247 Editor:NarayanaswamySrinivasan,IndianInstituteofScience,India ReceivedApril30,2012;AcceptedSeptember11,2012;PublishedOctober15,2012 Copyright: ? 2012 Li and Fang. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricteduse,distribution,andreproductioninanymedium,providedtheoriginalauthorandsourcearecredited. Funding:Theauthorshavenosupportorfundingtoreport. CompetingInterests:Theauthorshavedeclaredthatnocompetinginterestsexist. *E-mail:jwfang@ Introdu