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 ResearchConceptsProtein structureX-ray crystallographyProtein coreHigh-quality protein structuresCore amino acidsSide-chain dihedral anglesNMR structureCore residuesAmino acidsCrystal structureStructural differencesCrystallographyNMR spectroscopyResiduesSquare deviationPacking-generation protocolsFundamental differencesPhysical basisContrast
2019
Jammed packings of 3D superellipsoids with tunable packing fraction, coordination number, and ordering
Yuan Y, VanderWerf K, Shattuck MD, O'Hern CS. Jammed packings of 3D superellipsoids with tunable packing fraction, coordination number, and ordering. Soft Matter 2019, 15: 9751-9761. PMID: 31742301, PMCID: PMC6902436, DOI: 10.1039/c9sm01932d.Peer-Reviewed Original ResearchParticle shape parametersDifferent particle shapesPacking fractionAspect ratio βMechanical propertiesCompression simulationsDilute configurationsNumerical studyStatic packingsParticle shapeSuperellipsoidal particlesIsostatic valueRatio βDense configurationPacking-generation protocolsShape parametersParticlesJammed packingsQuartic modesRedundant contactsConfigurationSuperellipsoidsParametersOrientational order