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
2018
Comparing side chain packing in soluble proteins, protein‐protein interfaces, and transmembrane proteins
Gaines JC, Acebes S, Virrueta A, Butler M, Regan L, O'Hern CS. Comparing side chain packing in soluble proteins, protein‐protein interfaces, and transmembrane proteins. Proteins Structure Function And Bioinformatics 2018, 86: 581-591. PMID: 29427530, PMCID: PMC5912992, DOI: 10.1002/prot.25479.Peer-Reviewed Original ResearchConceptsProtein-protein interfacesClass of proteinsTransmembrane proteinSoluble proteinSolvent-inaccessible coreMembrane proteinsProtein classesCore residuesProtein-protein interactionsHigh-resolution crystal structuresHydrophobic core mutationsRelative solvent accessibilityAnalysis of mutationsSide-chain packingProtein complexesNon-core regionsSolvent accessibilityProteinSide-chain conformationsCore mutationsMutationsResiduesSide chains
2016
Random close packing in protein cores
Gaines JC, Smith WW, Regan L, O'Hern CS. Random close packing in protein cores. Physical Review E 2016, 93: 032415. PMID: 27078398, DOI: 10.1103/physreve.93.032415.Peer-Reviewed Original Research
2014
Predicting the side‐chain dihedral angle distributions of nonpolar, aromatic, and polar amino acids using hard sphere models
Zhou AQ, O'Hern CS, Regan L. Predicting the side‐chain dihedral angle distributions of nonpolar, aromatic, and polar amino acids using hard sphere models. Proteins Structure Function And Bioinformatics 2014, 82: 2574-2584. PMID: 24912976, DOI: 10.1002/prot.24621.Peer-Reviewed Original Research