蛋白質(zhì)分子自然構(gòu)象和二級(jí)結(jié)構(gòu)的計(jì)算分析及預(yù)測(cè).pdf

1、復(fù)旦大學(xué)博士學(xué)位論文蛋白質(zhì)分子自然構(gòu)象和二級(jí)結(jié)構(gòu)的計(jì)算分析及預(yù)測(cè)姓名：周圓兀申請(qǐng)學(xué)位級(jí)別：博士專業(yè)：生物力學(xué)指導(dǎo)教師：韓平疇20080531復(fù)旦大學(xué)博士學(xué)位論文AbstractTitle：ModelingproteinsfortheirgroundstateconformationsandtheirsecondarystructurepredictionsAuthor：YuanwuZhouAdvisor：RayESHart，Profes

2、sorDepartmentofMechanicsandEngineeringScience，F(xiàn)udanUniversityShanghaiAbstract：Thisthesisisconcernedwiththemodelingofproteinsandconsistsoftwoparts；computingfortheirgroundstateconformationsandcomputingfortheirsecondarystru

3、cturepredictionsTohandlethefirstpartofthethesis，weproposeageneticalgorithmwitIladynasticchangestrategytodeterminethegroundstateconformationsofproteinsThetoymodelwhichisa2D，2rigidmonomermodelisadoptedtohandletheproteinfol

4、dingphenomenaTheinspirationforthedynasticchangestrategyisthatadynastyCanneverbesustainedforeverinasocietythatchangescontinuouslyovertimeandwithitsenvironmentThisapproachsolvesthepossibleprematureconvergenceproblemAsachec

5、kofourmethod，weemployedittoanalyze2proteins1AGTand1AHO，andobtainedenergyminimaof一208296and210853，respectivelyThesevaluesalenotonlycomparabletothereportedliteraturevaluesof196169and一151911forthese2proteinsbutarebetween638

6、％smallerthanthemForthese2proteins，wearereasonablyconfidentthatoursimulationforthegroundstateconformationcorrespondstothestateoflowestfreeenergyInthesecondpartofthethesis，wepresentedatechniqueforthepredictionoftheproteins