grant

Predictive methods for simulating redox reactions and charge transfer in proteins

Organization BOSTON UNIVERSITY (CHARLES RIVER CAMPUS)Location BOSTON, UNITED STATESPosted 1 Jun 2025Deadline 31 May 2030
NIHUS FederalResearch GrantFY2025AddressBiologicalBiological FunctionBiological ProcessBostonChargeChemicalsChemistryCollaborationsComputer softwareDevelopmentElectron TransportElectronsElectrostaticsEnzyme GeneEnzymesEvolutionGoalsKnowledgeMapsMediatingMethodsModelingNegative Beta ParticleNegatronsOxidation-ReductionPathway interactionsProcessProtein FamilyProteinsProtocolProtocols documentationReactionRedoxResearchRoleSchemeSoftwareStructureTherapeuticUniversitiesanti-microbialantimicrobialbiologicblue light receptor cryptochromecofactorcomputational platformcomputational studiescomputer studiescomputing platformcryptochromedesigndesigningdevelopmentalelectron transferexperimentexperimental groupexperimental researchexperimental studyexperimentsgraph theorymethod developmentonline softwareoxidation reduction reactionpathwayprogramsprotein functionscreeningscreeningssimulationsocial roleweb based softwareweb software
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Project Summary/Abstract
At Boston University (BU) the PI has developed a broad interdisciplinary computational and theo-
retical chemistry program focused on photo-induced and electron-mediated processes. The program
integrates method development and phenomenon-driven research closely tied to experiment through
collaboration with experimental…

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Predictive methods for simulating redox reactions and charge transfer in proteins — BOSTON UNIVERSITY (CHARLES RIVER CAM | Dev Procure