grant

Molecular modeling and theoretical characterization of protein dynamics and ligand binding

Organization UNIVERSITY OF CALIFORNIA RIVERSIDELocation RIVERSIDE, UNITED STATESPosted 1 May 2026Deadline 28 Feb 2031
NIHUS FederalResearch GrantFY2026AI AugmentedAI assistedAI based modelAI drivenAI enhancedAI integratedAI modelAI poweredAffectAffinityArtificial Intelligence enhancedAugmented by AIAugmented by the AIAugmented with AIAugmented with the AIBindingBinding ProteinsBiologicalBiologyCell BodyCellsChemistryComplexComputational toolkitDevelopmentDrug DesignDrug KineticsDrugsEnvironmentFree EnergyGluesGoalsIn VitroKineticsKnowledgeLeadLearningLigand BindingLigand Binding ProteinLigand Binding Protein GeneLigandsMedicationMedicineMissionModelingMolecularMolecular ConfigurationMolecular ConformationMolecular Dynamics SimulationMolecular InteractionMolecular Modeling Nucleic Acid BiochemistryMolecular Modeling Protein/Amino Acid BiochemistryMolecular ModelsMolecular StereochemistryMotionNational Institutes of HealthNaturePb elementPharmaceutical PreparationsPharmacokineticsPhysicsPlayPropertyProtein BindingProtein ConformationProtein DynamicsProteinsResearchRoleSamplingSystemTechniquesTimeTranslatingUnited States National Institutes of HealthWorkartificial intelligence assistedartificial intelligence augmentedartificial intelligence drivenartificial intelligence integratedartificial intelligence modelartificial intelligence poweredartificial intelligence-based modelbiologicbound proteincomputational toolboxcomputational toolscomputational toolsetcomputerized toolsconformationconformationalconformational conversionconformational stateconformational transitionconformationallyconformationsdeep learningdeep learning based modeldeep learning methoddeep learning modeldeep learning strategydesigndesigningdevelopmentaldrug candidatedrug developmentdrug efficacydrug/agentenhanced with AIenhanced with Artificial Intelligenceexperimentexperimental researchexperimental studyexperimentsheavy metal Pbheavy metal leadimprovedin vivoinsightmolecular dynamicsmolecular modelingmolecular recognitionnew drug treatmentsnew drugsnew pharmacological therapeuticnew therapeuticsnew therapynext generation therapeuticsnovelnovel drug treatmentsnovel drugsnovel pharmaco-therapeuticnovel pharmacological therapeuticnovel therapeuticsnovel therapypreventpreventingprotein complexresidenceresidential buildingresidential sitesmall moleculesocial rolesuccesstherapeutically effectivetool
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Project Summary: Molecular modeling and theoretical characterization of protein dynamics and ligand binding
Molecular recognition plays a crucial role in biology, chemistry and medicine. To answer key biological questions

and enhance drug development, it is essential to understand protein-ligand binding at atomic detail. While

multiple factors…

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Molecular modeling and theoretical characterization of protein dynamics and ligand binding — UNIVERSITY OF CALIFORNIA RI | Dev Procure