Development of Immune-Specific Interaction Potentials and Their Application in the Multi-Agent-System VaccImm 英文参考文献.docVIP

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Development of Immune-Specific Interaction Potentials and Their Application in the Multi-Agent-System VaccImm 英文参考文献.doc

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Development of Immune-Specific Interaction Potentials and Their Application in the Multi-Agent-System VaccImm 英文参考文献

DevelopmentofImmune-SpecificInteractionPotentials andTheirApplicationintheMulti-Agent-System VaccImm AnnaLenaWoelke1*,JoachimvonEichborn1,ManuelaS.Murgueitio1,CatherineL.Worth1 ,Filippo Castiglione2,RobertPreissner1 1InstituteforPhysiology,Charite′ Universita¨tsmedizin Berlin,Berlin,Germany,2InstituteforComputingApplications,NationalResearchCouncilofItaly,Rome,Italy Abstract Peptidevaccinationincancertherapyisapromisingalternativetoconventionalmethods.However,theparametersforthis personalizedtreatmentaredifficulttoaccessexperimentally.Inthisrespect,insilicomodelscanhelptonarrowdownthe parameter space or to explain certain phenomena at a systems level. Herein, we develop two empirical interaction potentialsspecifictoB-cellandT-cellreceptorcomplexesandvalidatetheirapplicabilityincomparisontoamoregeneral potential.TheinteractionpotentialsareappliedtothemodelVaccImmwhichsimulatestheimmuneresponseagainstsolid tumorsunderpeptidevaccinationtherapy.Thismulti-agentsystemisderivedfromanotherimmunesystemsimulator(C- ImmSim)andnowincludesamodulethatenablestheaminoacidsequenceofimmunereceptorsandtheirligandstobe taken into account. The multi-agent approach is combined with approved methods for prediction of major histocompatibility complex (MHC)-binding peptides and the newly developed interaction potentials. In the analysis, we criticallyassesstheimpactofthedifferentmodulesonthesimulationwithVaccImmandhowtheyinfluenceeachother.In addition, we explore the reasons for failures in inducing an immune response by examining the activation states of the immune cell populations in detail. In summary, the present work introduces immune-specific interaction potentials and theirapplicationtotheagent-basedmodelVaccImmwhichsimulatespeptidevaccinationincancertherapy. Citation: Woelke AL, von Eichborn J,Murgueitio MS, Worth CL,CastiglioneF, et al.(2011) Development of Immune-Specific InteractionPotentialsand Their ApplicationintheMulti-Agent-SystemVaccImm.PLoSONE6(8):e23257.doi:10.1371