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
Regulation and aggregation of intrinsically disordered peptides
Levine ZA, Larini L, LaPointe NE, Feinstein SC, Shea JE. Regulation and aggregation of intrinsically disordered peptides. Proceedings Of The National Academy Of Sciences Of The United States Of America 2015, 112: 2758-2763. PMID: 25691742, PMCID: PMC4352815, DOI: 10.1073/pnas.1418155112.Peer-Reviewed Original ResearchConceptsStable native structureRole of osmolytesFragment of tauTrimethylamine N-oxideVital physiological functionsMicrotubule-associated tau proteinOsmolyte ureaAggregation propensityMicrotubule growthTau oligomerizationConformational ensemblesIDP structurePhysiological functionsNative structureCompact oligomersHelical filamentsProteinFibril formationCompact conformationNeurodegenerative diseasesTau proteinMonomer structureUnique classPeptidesN-oxide