2018
A threonine zipper that mediates protein–protein interactions: Structure and prediction
Oi C, Treado JD, Levine ZA, Lim CS, Knecht KM, Xiong Y, O'Hern CS, Regan L. A threonine zipper that mediates protein–protein interactions: Structure and prediction. Protein Science 2018, 27: 1969-1977. PMID: 30198622, PMCID: PMC6201716, DOI: 10.1002/pro.3505.Peer-Reviewed Original ResearchConceptsProtein-protein interactionsProtein-protein interfacesZipper structureBeta-barrel proteinsIntermonomer hydrogen bondsBarrel proteinsThr residueSide-chain dihedral anglesBiotechnological applicationsProtein interfacesMolecular dynamics simulationsDihedral angleSide-chain conformationsThrH-bondingHydrogen bondsChain conformationMD simulationsSteric constraintsDrug discoveryDynamics simulationsResiduesComparing 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
2012
Contact percolation transition in athermal particulate systems
Shen T, O'Hern CS, Shattuck MD. Contact percolation transition in athermal particulate systems. Physical Review E 2012, 85: 011308. PMID: 22400566, DOI: 10.1103/physreve.85.011308.Peer-Reviewed Original ResearchMeSH KeywordsColloidsComputer SimulationHot TemperatureModels, ChemicalModels, MolecularPhase TransitionSurface PropertiesConceptsBidisperse particle size distributionsPercolation transitionCompression stepParticle size distributionMechanical responseSystem-spanning clusterDisplacement fieldDilute configurationsApplied stressCooperative particle motionParticle motionIsotropic compressionPercolating networkParticulate systemsElastic energyFrictionless particlesTwo-dimensional systemsUnjammed stateSize distributionDynamical matrixJammed systemsAdjacency matrixSuccessive compressionSpatial dimensionsComputer simulations