45580.蛋白質(zhì)折疊動力學參數(shù)預(yù)測研究

1、分類號：Q6l；Q51天津理工大學碩士學位論文密數(shù)Y89二917蛋自質(zhì)折疊動力學參數(shù)預(yù)測研究(申請碩士學位)學科專業(yè)：凝聚態(tài)物理研究方向：生物信息學研究生：陳輝指導(dǎo)教師：黃積濤教授二零零六年六月PredictioⅡofl【ineticparametersforproteinfoldingAbstractTherea豫tIlrcemaininfo姍ationsourcesofbjoinf0咖atics：sequence，S仉lcnlre粕

2、dfIlnctionnDteinfoldiIlgpmblcmfbcusesontllemlationshipbct、v啪tlle∞qu佃ce柚dtIlesnⅥctureI，redictionofproteiIlfoldingbncticpI舯etersisachaIlengein廿IeproteinfoldingprobleInThesignmc鋤tcorrelationbe似，amproteinfoIdingrates鋤dmesequ

3、encepmdictedsecondarystnlctIIresu黯eststllatfoldingmtesa糟Iafgelydete珊inedbytlleamino∞idsequenceHe化，wep他∞ntamcthodforp咒dictiIIg也efolding瑚主esofproteinsfbmsequencesusingtllem訂ilIsicpropertiesof鋤itlo∞ids，whichdoesnotrequi∞鋤yi

4、nfomationon∞condalys仉lctIl∞prcdictionand☆uctIIl訓(xùn)topology11becof州butionofrcsiduetotIlefoldingrateisexp他s∞dbythe他sidue’snval∽F0ragiv曲msidue，i乜Qdependsont11e鋤iIIo∞idproperties(蛐ino∞idnexibility鋤dp糟ferenceof廿le鋤ino∞idforscco

5、ndary曲mctII∞s)OurirⅣestigationachieves82％cormIationwimfoldingmlcsdetemlinedexperimentalIy白rs婦ple，脅stateproteinsstIldiedbynow，suggestiIlgtIIattIleaminoacidsequenceofaproteiIlis蚰importantdetemin如tof也eproteinfoldmgr砒e粕dmech

6、柚ismWebuildamodelofproteiIIfoldingbyin打oduciIlgⅡ他conc印tof∞一called“foldingrcpulsivepotential”N鋤ely’、vc嬲s啪etllat廿le他ist11e心pulsivefbr∞becween姍ino∞idrcsiduepairsintllepmteillmol∞ule，whichtllisfbrcep『cvcntsme明y“，csidues，whic

7、hoccur伽‘印artinme鋤ino∞id∞quenceofthepr0把ill，cometogetllerinacontactAs廿lerepulsivepotentialisincr髓sedtllemteoffoldingismllchslow盯bec跚∞tllefoIdingbarrierisincre站edn博potenti“iscalculatedby也eL鋤lard—Jones玎keandMor辯1ikef’ormul髂

8、，rcspectivelyFortwostateprotcms，multi—sta_tcprotcins舭dsbonpeptide，tllercsultsshowmattllemaresn_0ngcon℃lationsbetweenttlepotential粕dunfoldillgrateasweUasGibbsfheenergyof∞tivation(cormlationcoeffIci朋tsammomtllanO80)，sugges

9、tingtllatinterresidueiIltemctionis鋤imp(1咖ltdete加iIl柚tofkilleticp砌ete幅ofproteinfoldingR鋤achand珊plothelpstoVisuaI注etllestereochemis臼y岬issiblevalueofpmteindilledmlangle口粕d舅InRamachandI鋤plot，weconsiderthes吼ofdistancesbetwe啦t

10、llepoint(諺P)andthepoint(0，0)’柚d廿ledis晡butionofseconda科shuctllreisigno剛Then，thecor∞lationbetweenthet0詛ldist鋤ce鋤dt量lemtecons詛ntof島lding，unfoldiIIgorGibbs舭eenergyofactivationis舳aly繾d(corf_elationc∞伍ci鋤tsa∞alsomo∞th觚O80)Keyw