2012
The Active Site of Melanopsin: The Biological Clock Photoreceptor
Sekharan S, Wei J, Batista V. The Active Site of Melanopsin: The Biological Clock Photoreceptor. Journal Of The American Chemical Society 2012, 134: 19536-19539. PMID: 23145979, DOI: 10.1021/ja308763b.Peer-Reviewed Original ResearchMeSH KeywordsAmino Acid SequenceAnimalsBiological ClocksCatalytic DomainDecapodiformesMiceModels, BiologicalPhotoreceptor CellsRod OpsinsSequence Alignment
2004
QM/MM Study of Energy Storage and Molecular Rearrangements Due to the Primary Event in Vision
Gascon J, Batista V. QM/MM Study of Energy Storage and Molecular Rearrangements Due to the Primary Event in Vision. Biophysical Journal 2004, 87: 2931-2941. PMID: 15339806, PMCID: PMC1304767, DOI: 10.1529/biophysj.104.048264.Peer-Reviewed Original ResearchConceptsMolecular rearrangementQuantum mechanics/molecular mechanics (QM/MM) hybrid methodsEnergy storageQM/MM studyPolyene chainEnergy storage mechanismElectronic excitation energiesHigh-resolution structural dataBovine visual rhodopsinMolecular structureMM studyNet positive chargePrimary photochemical eventSchiff baseC13 positionSchiff base linkageStorage mechanismSteric interactionsTrans productsSteric constraintsPreferential senseFirst-principles understandingPositive chargePhotochemical eventsStructural data