2020
Analyses of protein cores reveal fundamental differences between solution and crystal structures
Mei Z, Treado JD, Grigas AT, Levine ZA, Regan L, O'Hern CS. Analyses of protein cores reveal fundamental differences between solution and crystal structures. Proteins Structure Function And Bioinformatics 2020, 88: 1154-1161. PMID: 32105366, PMCID: PMC7415476, DOI: 10.1002/prot.25884.Peer-Reviewed Original ResearchMeSH KeywordsAmino Acid SequenceAmino AcidsCrystallizationCrystallography, X-RayDatasets as TopicNuclear Magnetic Resonance, BiomolecularProtein ConformationProteinsSolutionsConceptsProtein structureX-ray crystallographyProtein coreHigh-quality protein structuresCore amino acidsSide-chain dihedral anglesNMR structureCore residuesAmino acidsCrystal structureStructural differencesCrystallographyNMR spectroscopyResiduesSquare deviationPacking-generation protocolsFundamental differencesPhysical basisContrast
2015
Equilibrium transitions between side‐chain conformations in leucine and isoleucine
Caballero D, Smith WW, O'Hern CS, Regan L. Equilibrium transitions between side‐chain conformations in leucine and isoleucine. Proteins Structure Function And Bioinformatics 2015, 83: 1488-1499. PMID: 26018846, DOI: 10.1002/prot.24837.Peer-Reviewed Original ResearchComputational BiologyHydrophobic and Hydrophilic InteractionsIsoleucineLeucineMolecular Dynamics SimulationNuclear Magnetic Resonance, BiomolecularProtein ConformationProtein FoldingProteins