grant
Toward a Deeper Understanding of Allostery and Allotargeting by Computational Approaches
Organization STATE UNIVERSITY NEW YORK STONY BROOKLocation STONY BROOK, UNITED STATESPosted 5 Aug 2021Deadline 31 Mar 2030
NIHUS FederalResearch GrantFY2026AI AugmentedAI assistedAI basedAI drivenAI enhancedAI integratedAI poweredAddressAmino AcidsArtificial Intelligence enhancedAugmented by AIAugmented by the AIAugmented with AIAugmented with the AIBasic ResearchBasic ScienceBehaviorBenchmarkingBest Practice AnalysisBindingBinding SitesBiologic SciencesBiologicalBiological FunctionBiological ProcessBiological SciencesBiologyBioscienceCell BodyCellsCombining SiteCommunitiesComputational BiologyComputer softwareComputing MethodologiesDNA Molecular BiologyDNA mutationDataData BasesDatabasesDevelopmentDiseaseDisorderDrug Binding SiteElasticityEngineeringEventFamilyFundingG Protein-Complex ReceptorG Protein-Coupled Receptor GenesG-Protein-Coupled ReceptorsGPCRGenetic ChangeGenetic defectGenetic mutationGenetics-MutagenesisGoalsLife SciencesLightLinkMachine LearningMethodologyMethodsModelingMolecularMolecular BiologyMolecular ConfigurationMolecular ConformationMolecular InteractionMolecular StereochemistryMutagenesisMutagenesis Molecular BiologyMutationPathogenicityPathway interactionsPharmacologyPhotoradiationPhysicsPoint MutationPropertyProtein DynamicsProtein EngineeringProteinsProteomeReactive SiteResearchResearch ResourcesResolutionResourcesSamplingScienceSeriesSiteSoftwareStructureSystemTechnologyTestingThermodynamicThermodynamicsTrainingTranslational ResearchTranslational ScienceValidationVariantVariationWorkaminoacidapplication program interfaceapplication programming interfaceartificial intelligence assistedartificial intelligence augmentedartificial intelligence basedartificial intelligence drivenartificial intelligence integratedartificial intelligence poweredbenchmarkbiologiccomputational methodologycomputational methodscomputational platformcomputational resourcescomputer based methodcomputer biologycomputer methodscomputing methodcomputing platformcomputing resourcesconformationconformationalconformational stateconformationallyconformationsdata basedesigndesigningdevelopmentaldrug discoveryeffective therapyeffective treatmentenhanced with AIenhanced with Artificial Intelligencegenetic protein engineeringgenome mutationin silicoindelinsertion/deletioninsertion/deletion mutationintermolecular interactionmachine based learningmachine learned algorithmmachine learning algorithmmachine learning based algorithmmachine learning based classifiermachine learning based methodmachine learning based modelmachine learning based prediction modelmachine learning based predictive modelmachine learning classifiermachine learning methodmachine learning methodologiesmachine learning modelmachine learning predictionmachine learning prediction modelmonoaminenetwork modelsnew drug treatmentsnew drugsnew pharmacological therapeuticnew therapeuticsnew therapynext generation therapeuticsnovelnovel drug treatmentsnovel drugsnovel pharmaco-therapeuticnovel pharmacological therapeuticnovel therapeuticsnovel therapypathwaypharmacologicpharmacophorephysical scienceprecision medicineprecision-based medicineprotein designprotein functionrational designrepositionable compoundsrepositionable drugsrepurposablerepurposable drugsrepurposable medicationrepurposable medicinerepurposable therapeuticresolutionsresponseside effectsimulationsmall moleculestructural biologytooltool developmenttranslation researchtranslational investigationvalidationsvirtual screeningvirtual screenings
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We propose to renew our R01 “Toward a deeper understanding of allostery and allotargeting by
computational approaches” (GM139297) building upon the significant progress we made during
the past funding term as well as breathtaking advances that took place in the applications of AI to
structural biology in recent years. A major breakthrough has been…
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