1st MuTaLig COST Action Training School · 1st MuTaLig COST Action Training School Computational...
Transcript of 1st MuTaLig COST Action Training School · 1st MuTaLig COST Action Training School Computational...
1stMuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology8-10February2017 Vienna,Austria
ScientificProgramDay1 Page1of6Wednesday,8thFebruary2017
08:00-08:55Arrival/Registration.(PharmaziezentrumUZA2,UniversityofVienna).
08:55–09:00MovetoLectureHall5(Hörsaal5).
09:00-09:15Welcome.SharonBryant,(LocalOrganizingChair)Inte:LigandGmbH,Austria.
09:15-09:30InitiativesoftheMuTaLigCostActionCA15135.StefanoAlcaro,(Chair,MuTaLigCOSTAction)University“MagnaGræcia”diCatanzaro,Italy.
LecturesSessionChair,FernandaBorges(ViceChair,MuTaLigCOSTAction,UniversityofPorto,Portugal)
09:30-10.00PharmacophoreApproachesforPolypharmacologicalProfilingofCompoundLibraries.ThierryLanger,UniversityofVienna,Austria.
10:10–10:30CoffeeBreak
10:30–11:00NavigationinChemicalSpaceTowardsBiologicalActivity.PeterErtl,Novartis,Switzerland.
11:10-11:40SmartScreeningLibrariesandSuccessfulMedicinalChemistry.Marie-LouiseJung,PrestwickChemical,France.
11:50–13:45Lunch(onyourown).
13:45-14:00MovetoTrainingSessions(PharmaziezentrumUZA2).
TrainingSessions Group1toRoom2F363 Group2toRoom2D313
Time Group1 Group2
14:00-15:45
Workshop1(Room2F363)FindingHitCompoundsUsingStructure-BasedPharmacophoreModelingandVirtualScreening.SharonBryant,GökhanIbis
Workshop2(Room-2D313)DataMiningandMachineLearningToolsforDrugDesign.HanochSenderowitz,AbrahamYosipof
15:45–16:00
CoffeeBreak CoffeeBreak
16:00-17:45
Workshop3(Room2F363)
Ligand-BasedPharmacophoreModelingandParallelVirtualScreeningStrategiestoFindMultiTargetLigands.SharonBryant,GökhanIbis
Workshop4(R00m-2D313)
InSilicoFragment-BasedDesignandProfilingofDiverseorFocusedCompoundLibraries.ThierryLanger,RiccardoMartini
1stMuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology8-10February2017 Vienna,Austria
1stMuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology8-10February2017 Vienna,Austria
ScientificProgramDay2 Page2of6Thursday,9thFebruary2017
08:15-08:45Registration(Sign-inallparticipants).PharmaziezentrumUZA2,UniversityofVienna.
08:45-08:50MovetoLectureHall5(Hörsaal5).
08:50–09:00BriefWelcome&Announcements.SharonBryant,Inte:LigandGmbH,Austria.
LecturesSessionChair,RitaGuedes(UniversityofLisbon).
09:00–09:30ExploitingSemanticallyIntegratedLifeScienceData–fromTransporterProfilingto
ToxicityPrediction.GerhardEcker,UniversityofVienna,Austria.
09:40–10:10BuildingCompoundArchivesandTriagingHitListsfortheFuture.
RichardLewis,Novartis,Switzerland.
10:20–10:40CoffeeBreak
SessionChair,Marie-LouiseJung(PrestwickChemical).
10:40–11:10AnOptimizedApprovedDrugLibraryforCombinatorialScreening.StefanKubicek,CeMM,Austria.
11:20–11:50OptimizationAlgorithmsinChemoinformatics:TheoryandApplications.HanochSenderowitz,BarIlanUniversity,Israel.
11:50–13:45Lunch(onyourown).
13:45-14:00MovetoTrainingSessions(PharmaziezentrumUZA2).TrainingSessionsGroup2toRoom2F363 Group1toRoom2D313
Time Group2 Group1
14:00-15:45
Workshop1(Room2F363)FindingHitCompoundsUsingStructure-BasedPharmacophoreModelingandVirtualScreening.SharonBryant,GökhanIbis
Workshop2(Room-2D313)DataMiningandMachineLearningToolsforDrugDesign.HanochSenderowitz,AbrahamYosipof
15:45–16:00
CoffeeBreak CoffeeBreak
16:00-17:45
Workshop3(Room2F363)
Ligand-BasedPharmacophoreModelingandParallelVirtualScreeningStrategiestoFindMultiTargetLigands.SharonBryant,RiccardoMartini
Workshop4(Room-2D313)
InSilicoFragment-BasedDesignandProfilingofDiverseorFocusedCompoundLibraries.ThierryLanger,GökhanIbis
1stMuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology8-10February2017 Vienna,Austria
1stMuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology8-10February2017 Vienna,Austria
Page3of6ScientificProgramDay3Thursday,10thFebruary2017
08:30-08:45Registration(Sign-inallparticipants).PharmaziezentrumUZA2,UniversityofVienna.
08:45–08:50MovetoLectureHall5(Hörsaal5).
08:50–09:00BriefWelcome.SharonBryant,Inte:LigandGmbH,Austria.
LecturesSessionChair,ThierryLanger(UniversityofVienna).
09:00 – 09:30 Phenotypic Screening of Annotated Libraries: The Published Kinase Inhibitor Set(PKIS).PeterEttmayer,Boehringer-Ingelheim,Austria.
09:40–10:10MultiscaleApproachfortheStudyofGhrelinandTollLike7ReceptorLigands
ProposedbyPharmaceuticalCompanies.AndreaDanani,IDSIA,Switzerland.
10:20–10:50VirtualScreeningStrategiesinDrugDiscovery:SomeTheory…SomeApplications.
RitaGuedes,UniversityofLisbon,Portugal.
11:00–11:30CoffeeBreak.
SessionChair,HanochSenderowitz(BarIlanUniversity).
11:30–12:00MolecularDatabases:UsefultoolsforMedicinalChemists.DoWeNeedSomethingMore?FrancescoOrtuso,UniversityMagnaGræciadiCatanzaro,Italy.
SearchingtheChemotheca-InteractiveSession
12:00–13:00MuTaLigVirtualChemothecaUpdates:WhatitCanDoforUs,WhatWeCanDoforIt.BringyourcomputerandexperimentwiththefirstprototypeoftheMuTaLigChemotheca.FrancescoOrtuso&StefanoAlcaro.UniversityMagnaGræciadiCatanzaro,Italy.
ClosingSession
13:00–13:20MuTaLigCOSTAction:NextStepsforaSuccessfulFuture.FernandaBorges,(Vice
Chair,MuTaLigCOSTAction)UniversityofPorto,Portugal.
13:20–13:30ClosingRemarks.SharonBryant,Inte:LigandGmbH,Austria.
13:30TrainingSchoolCloses.
1stMuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology8-10February2017 Vienna,Austria
1stMuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology8-10February2017 Vienna,Austria
Page4of6AcknowledgementsLocalOrganizingCommitteeSharonD.Bryant(Inte:LigandGmbH)ThierryLanger(UniversitätWien)GoekhanIbis(Inte:LigandGmbH)DanielaKrizan(UniversitätWien)
MuTaLigCOSTAction(CA15135)Committee
RiccardoMartini(Inte:LigandGmbH)PatrickPenner(UniversitätWien)ClaraVanHoey(UniversitätWien)DorisSchuetz(UniversitätWien)
StefanoAlcaro,Chair(Italy)FernandaBorges,ViceChair(Portugal)JoãoCarlosFerreiraRibeiro(Portugal)DanijelKikelj(Slovenia)EugenioGaudio(Switzerland)SharonD.Bryant(Austria)HanochSenderowitz(Israel)MariaLauraBolognesi(Italy)
MaurizioBotta,(Italy)RitaGuedes(Portugal)
AnnaArtese(Italy)HolgerStark(Germany)
ClaireSchoemake(Malta)ChristaMuller(Germany)JoanaAbrantes(Portugal)
LuciaForzi(COST-Belgium)SvetlanaVoinova(COST-Belgium)
1stMuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology8-10February2017 Vienna,Austria
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Pharmaziezentrum(PharmacyCenter)UZA2SiteMap
RegistrationandLectureHall5islocatedinsectionDofthePharmaziezentrumUZA2U6-MetroLine(Brown)–ExitSpittelau.U4-MetroLine(Green)–ExitSpittelau.TramD–**(1)Augassestop(Recommended),(2)Lichtenwerderplatzstop(enterUZA2fromJosef
HoflaubekPlatz-goupthestairsandwalkstraighttotheMainEntrance),or(3)Althanstrassestop(notrecommendedfor1sttimevisitors--entertheBiozentrumUZA1buildingthenexitandcrossoverintoPharmaziezentrumUZA2).
WorkshopandLectureHallLocations
1stMuTaLigCOSTActionTrainingSchoolComputationalApproachestoPolypharmacology8-10February2017 Vienna,Austria
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NearbyRestaurants
1.Fly'sAmericanFiftiesRestaurant*HeiligenstädterStr.29-31,1190flys.at2.BrandauersBierbögen*HeiligenstädterStr.31,1190bierig.at3.AnkerBakery(Sandwiches&Pastries)Augasse2-6,109006:30-18:004.GasthausGrabmüllerLiechtenwerderPl.3,1190http://www.gasthausgrabmüller.at/5.JasminAlShamRestaurantHeiligenstädterStr.9,1190jasmin.al.sham6.TheRoastAugasse21,1090TheRoast7.CaféBlauSternDöblingerGürtel2,1190www.blaustern.at8.LichtenthalerBräu–CraftBeerPubLiechtensteinstraße108,1090lichtenthalerbraeu.at9.RestaurantMediterranoAlthanstrasse47,1090RestaurantMediterrano10.TokyoNudelAlthanstraße37,1090TokyoNudelRestaurant11.RistoranteTrattoriaAnticaAlthanstraße15,1090trattoria-antica.at12.Akakiko(Japanese)Julius-Tandler-Platz4,1090akakiko.at
1-2.TramD(Radelmayergasse-stop)3-6,8-11.VeryClose(6minuteswalkorless)7.Walk10min10.TramD(FranzJosefsBahnhof(Alserbachstraße)-Stop)