Discovery studio2.0-overview

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1、DiscoveryStudio2.0PaulFlookSeniorDirector,LifeSciencesR&DDialIn(foraudioconferencing)+1.866.519.8942orToll:+1.770.790.2186Participantcode:8587995760Thewebinarswillbeginat07:00and10:00amPSTOutline•TheDiscoveryStudioVisualizer•DiscoveryStudioScience•DiscoveryStudioandPipelinePilot•PerlScri

2、pting•DeploymentOptionsProductRoadmap–EvolutionofDiscoveryStudio6Months6Months8MonthsDS1.5DS1.6DS1.7DS2.0JanJulJanJanSep2006200620072007DiscoveryStudioDSVisualizerPipelinePilotProtocolProtocolProtocolCHARMmBLASTMODELERScientificServersProtocolProtocolLigandFitLudiTheDiscoveryStudioVisual

3、izerIntegratedSingleWorkEnvironmentExistingAccelrysProductsDiscoveryStudioFunctionalityfromCatalyst,QUANTA,Cerius2,InsightIIinoneuserinterfaceTheDSVisualizerClientisComprehensiveandCustomizable•TheVisualizercanbeconfiguredtobeassimpleorascomplexasdesired.Simplyresizeorrearrangewindowstog

4、etdesiredview.ExplorersDataViewerVieweitherResizeorFilesmaximizeProtocolsorwindowasToolswithoutneededtoviewexitingdataapplication.ProtocolAccessHelpLauncherandviewjobstatusInputwithoutparametersandleavingmodifyapplication.interactivelyDiscoveryStudioScienceScientificCoverageinDiscoverySt

5、udio2.0•ADMET•Electrostatics•LibraryAnalysis•LibraryDesign•Pharmacophore•ProteinModeling•QSAR•Receptor-LigandInteractions•SequenceAnalysis•SimulationMajorNewScienceinDiscoveryStudio2.0ArangeofnewmethodshavebeenimplementedinDiscoveryStudio2.0andcanbeaccessedasprotocols.Amongthehighlightsa

6、re:•FastaccuratepKpredictionandprotonationstatedetermination.•Flexibleprotein-liganddockingmethod.•Pharmacophorebasedfragmentbaseddesignmethods.•NewmethodsforQSARandsmallmoleculelibraryanalysis.•Antibodymodelingtools.•Protein-proteindockingandscoringtools.PipelinePilotIntegrationPipeline

7、Pilot•Designcustomworkflows•Automatejobs•Createcustomprogramstomanipulatedata•ViewoutputasdesiredPipelinePilotOffersAdditionalClientChoicesPipelinePilotPerlScriptingPerlScripting•Severalofourexistingproductshadscriptingcapabilities(e.g.tclinCerius2,bclinInsightII)•Thesesc