FAMCS: Finding All Maximal Common Substructures in Proteins

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摘要 Findingthecommonsubstructuressharedbytwoproteinsisconsideredasoneofthecentralissuesincomputationalbiologybecauseofitsusefulnessinunderstandingthestructure-functionrelationshipandapplicationindrugandvaccinedesign.Inthispaper,weproposeanovelalgorithmcalledFAMCS(FindingAllMaximalCommonSubstructures)forthecommonsubstructureidentificationproblem.Ourmethodworksinitiallyattheproteinsecondarystructuralelement(SSE)levelandstartswiththeidentificationofallstructurallysimilarSSEpairs.TheseSSEpairsarethenmergedintosetsusingamodifiedApriorialgorithm,whichwilltestthesimilarityofvarioussetsofSSEpairsincrementallyuntilallthemaximalsetsofSSEpairsthatdeemedtobesimilararefound.Themaximalcommonsubstructuresofthetwoproteinswillbeformedfromthesemaximalsets.ArefinementalgorithmisalsoproposedtofinetunethealignmentfromtheSSEleveltotheresiduelevel.ComparisonofFAMCSwithothermethodsonvariousproteinsshowsthatFAMCScanaddressallfourrequirementsandinferinterestingbiologicaldiscoveries.
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出版日期 2005年02月12日(中国期刊网平台首次上网日期,不代表论文的发表时间)