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 simulationsResidues
2017
Significant Performance Enhancement of Polymer Resins by Bioinspired Dynamic Bonding
Seo S, Lee DW, Ahn JS, Cunha K, Filippidi E, Ju SW, Shin E, Kim B, Levine ZA, Lins RD, Israelachvili JN, Waite JH, Valentine MT, Shea JE, Ahn BK. Significant Performance Enhancement of Polymer Resins by Bioinspired Dynamic Bonding. Advanced Materials 2017, 29 PMID: 28833661, PMCID: PMC5640498, DOI: 10.1002/adma.201703026.Peer-Reviewed Original ResearchMineral surfacesMussel foot proteinsMolecular dynamics simulationsMetal coordinationPolymer networksPolymeric interfacesPriming layerLoad-bearing materialsCatechol groupsDynamic bondingPolymer resinDynamics simulationsFoot proteinsHydrophobic bondsToughness enhancementAdhesion strengthAdhesive primerBondingSignificant performance enhancementSecondary surfacePerformance enhancementOrders of magnitudeSurfaceResinBonds
2016
Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces
Levine ZA, Rapp MV, Wei W, Mullen RG, Wu C, Zerze GH, Mittal J, Waite JH, Israelachvili JN, Shea JE. Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces. Proceedings Of The National Academy Of Sciences Of The United States Of America 2016, 113: 4332-4337. PMID: 27036002, PMCID: PMC4843488, DOI: 10.1073/pnas.1603065113.Peer-Reviewed Original ResearchConceptsSelf-assembled monolayersOrganic surfacesHydrophobic self-assembled monolayersReplica exchange molecular dynamics simulationsSurface force measurementsMolecular interactionsFree energy profilesMussel foot proteinsUmbrella sampling simulationsMolecular dynamics simulationsVan der WaalsPeptide adsorptionPeptide adhesionSFA measurementsUnderwater adhesivesAqueous adhesivesDer WaalsSurface forcesDynamics simulationsElectrostatic forcesFoot proteinsProtein analoguesSpecific interactionsAdsorptionAdhesive properties
2015
Picosecond and Terahertz Perturbation of Interfacial Water and Electropermeabilization of Biological Membranes
Vernier PT, Levine ZA, Ho MC, Xiao S, Semenov I, Pakhomov AG. Picosecond and Terahertz Perturbation of Interfacial Water and Electropermeabilization of Biological Membranes. The Journal Of Membrane Biology 2015, 248: 837-847. PMID: 25796485, PMCID: PMC4565733, DOI: 10.1007/s00232-015-9788-7.Peer-Reviewed Original ResearchConceptsSubnanosecond Electric PulsesTerahertz electromagnetic radiationComplementary molecular dynamics simulationsTerahertz frequenciesElectromagnetic radiationField reversalElectric pulsesElectric fieldInterfacial waterElectropore formationMolecular dynamics simulationsPulsesElectric potentialConductive structuresWater dipolesDynamics simulationsPhospholipid bilayersBilayersPicosecondsRemote monitoringBiological membranesModel membranesFieldPSRadiation
2013
Electric Field-Driven Water Dipoles: Nanoscale Architecture of Electroporation
Tokman M, Lee JH, Levine ZA, Ho MC, Colvin ME, Vernier PT. Electric Field-Driven Water Dipoles: Nanoscale Architecture of Electroporation. PLOS ONE 2013, 8: e61111. PMID: 23593404, PMCID: PMC3623848, DOI: 10.1371/journal.pone.0061111.Peer-Reviewed Original ResearchConceptsInterfacial water moleculesMolecular mechanismsWater moleculesLipid bilayersNovel molecular mechanismWater-vacuum interfaceMolecular dynamics simulationsRole of waterEnergetic analysisCell membranePore formationWater dipolesMolecular dipolesBiological applicationsNanoscale architectureDynamics simulationsElectroporationLipid layerMain playersMembranePassive barrierMoleculesFavorable configurationBilayersReorganization
2009
Electroporating Fields Target Oxidatively Damaged Areas in the Cell Membrane
Vernier PT, Levine ZA, Wu YH, Joubert V, Ziegler MJ, Mir LM, Tieleman DP. Electroporating Fields Target Oxidatively Damaged Areas in the Cell Membrane. PLOS ONE 2009, 4: e7966. PMID: 19956595, PMCID: PMC2779261, DOI: 10.1371/journal.pone.0007966.Peer-Reviewed Original ResearchConceptsLiving cellsComplex biomolecular assembliesPlasma membraneMolecular basisGenetic materialMembrane componentsCell membraneBiomolecular assembliesPermeabilization procedureModel membranesElectroporation protocolReversible electropermeabilizationOxidative stressElectropermeabilizationMembraneCell suspensionsDetailed understandingMolecular dynamics simulationsGene therapyCellsConsiderable knowledgeAssemblyDynamics simulationsPharmaceutical agents