Joan-Emma Shea - Publications

Affiliations: 
Chemistry University of California, Santa Barbara, Santa Barbara, CA, United States 
Area:
Physical Chemistry, Theory & Computation, Biochemistry & Biophysics, Biomedical Sciences, Biology-Inspired Chemistry & Physics, Structural Chemistry, Spectroscopy & Advanced Analysis

110 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 McCarty JJ, Delaney KT, Danielsen SPO, Fredrickson GH, Shea JE. Complete Phase Diagram for Liquid-liquid Phase Separation of Intrinsically Disordered Proteins. The Journal of Physical Chemistry Letters. PMID 30873835 DOI: 10.1021/acs.jpclett.9b00099  0.72
2018 Arsiccio A, McCarty JJ, Pisano R, Shea JE. The Effect of Surfactants on Surface-Induced Denaturation of Proteins: Evidence of an Orientation-Dependent Mechanism. The Journal of Physical Chemistry. B. PMID 30118226 DOI: 10.1021/acs.jpcb.8b07368  0.72
2016 Peter EK, Pivkin IV, Shea JE. A canonical replica exchange molecular dynamics implementation with normal pressure in each replica. The Journal of Chemical Physics. 145: 044903. PMID 27475393 DOI: 10.1063/1.4958325  0.52
2016 Ganguly P, van der Vegt NF, Shea JE. Hydrophobic Association in Mixed Urea-TMAO Solutions. The Journal of Physical Chemistry Letters. PMID 27440555 DOI: 10.1021/acs.jpclett.6b01344  0.52
2016 Peter EK, Shea JE, Pivkin IV. Coarse kMC-based replica exchange algorithms for the accelerated simulation of protein folding in explicit solvent. Physical Chemistry Chemical Physics : Pccp. PMID 27111190 DOI: 10.1039/c5cp06867c  0.52
2016 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. PMID 27036002 DOI: 10.1073/pnas.1603065113  0.52
2016 Kim B, Do TD, Hayden EY, Teplow DB, Bowers MT, Shea JE. Aggregation of Chameleon Peptides: Implications of α-Helicity in Fibril Formation. The Journal of Physical Chemistry. B. PMID 27001160 DOI: 10.1021/acs.jpcb.6b00830  0.52
2016 Ilitchev AI, Giammona MJ, Do TD, Wong AG, Buratto SK, Shea JE, Raleigh DP, Bowers MT. Human Islet Amyloid Polypeptide N-Terminus Fragment Self-Assembly: Effect of Conserved Disulfide Bond on Aggregation Propensity. Journal of the American Society For Mass Spectrometry. PMID 26894887 DOI: 10.1007/s13361-016-1347-7  0.52
2016 Shea JE, Levine ZA. Studying the Early Stages of Protein Aggregation Using Replica Exchange Molecular Dynamics Simulations. Methods in Molecular Biology (Clifton, N.J.). 1345: 225-50. PMID 26453216 DOI: 10.1007/978-1-4939-2978-8_15  0.52
2015 Do TD, LaPointe NE, Nelson R, Krotee P, Hayden EY, Ulrich B, Quan S, Feinstein SC, Teplow DB, Eisenberg D, Shea JE, Bowers MT. Amyloid β-Protein C-terminal Fragments: Formation of Cylindrins and β-barrels. Journal of the American Chemical Society. PMID 26700445 DOI: 10.1021/jacs.5b09536  0.52
2015 Wong AG, Wu C, Hannaberry E, Watson MD, Shea JE, Raleigh DP. Analysis of the Amyloidogenic Potential of Pufferfish (Takifugu rubripes) Islet Amyloid Polypeptide Highlights the Limitations of Thioflavin-T Assays and the Difficulties in Defining Amyloidogenicity. Biochemistry. PMID 26694855 DOI: 10.1021/acs.biochem.5b01107  0.52
2015 de Almeida NE, Do TD, Tro M, LaPointe NE, Feinstein SC, Shea JE, Bowers MT. Opposing Effects of Cucurbit[7]uril and 1,2,3,4,6-penta-O-galloyl-β-D-glucopyranose on Amyloid β25-35 Assembly. Acs Chemical Neuroscience. PMID 26629788 DOI: 10.1021/acschemneuro.5b00280  0.52
2015 Mullen RG, Shea JE, Peters B. Easy Transition Path Sampling Methods: Flexible-Length Aimless Shooting and Permutation Shooting. Journal of Chemical Theory and Computation. 11: 2421-8. PMID 26575542 DOI: 10.1021/acs.jctc.5b00032  0.52
2015 Zerze GH, Mullen RG, Levine ZA, Shea JE, Mittal J. To What Extent Does Surface Hydrophobicity Dictate Peptide Folding and Stability near Surfaces? Langmuir : the Acs Journal of Surfaces and Colloids. 31: 12223-30. PMID 26484800 DOI: 10.1021/acs.langmuir.5b03814  0.52
2015 Eschmann NA, Do TD, LaPointe NE, Shea JE, Feinstein SC, Bowers MT, Han S. Tau Aggregation Propensity Engrained in Its Solution State. The Journal of Physical Chemistry. B. PMID 26484390 DOI: 10.1021/acs.jpcb.5b08092  0.52
2015 Zheng X, Wu C, Liu D, Li H, Bitan G, Shea JE, Bowers MT. Mechanism of C-Terminal Fragments of Amyloid β-Protein as Aβ Inhibitors: Do C-Terminal Interactions Play a Key Role in Their Inhibitory Activity? The Journal of Physical Chemistry. B. PMID 26439281 DOI: 10.1021/acs.jpcb.5b08177  0.52
2015 Kristoffersen HH, Shea JE, Metiu H. Catechol and HCl Adsorption on TiO2(110) in Vacuum and at the Water-TiO2 Interface. The Journal of Physical Chemistry Letters. 6: 2277-81. PMID 26266604 DOI: 10.1021/acs.jpclett.5b00958  0.52
2015 Levine ZA, Fischer SA, Shea JE, Pfaendtner J. Trp-Cage Folding on Organic Surfaces. The Journal of Physical Chemistry. B. 119: 10417-25. PMID 26207727 DOI: 10.1021/acs.jpcb.5b04213  0.52
2015 Do TD, Chamas A, Zheng X, Barnes A, Chang D, Veldstra T, Takhar H, Dressler N, Trapp B, Miller K, McMahon A, Meredith SC, Shea JE, Lazar Cantrell K, Bowers MT. Elucidation of the Aggregation Pathways of Helix-Turn-Helix Peptides: Stabilization at the Turn Region Is Critical for Fibril Formation. Biochemistry. PMID 26070092 DOI: 10.1021/acs.biochem.5b00414  0.52
2015 Peter EK, Pivkin IV, Shea JE. A kMC-MD method with generalized move-sets for the simulation of folding of α-helical and β-stranded peptides. The Journal of Chemical Physics. 142: 144903. PMID 25877593 DOI: 10.1063/1.4915919  0.52
2015 Ganguly P, Do TD, Larini L, LaPointe NE, Sercel AJ, Shade MF, Feinstein SC, Bowers MT, Shea JE. Tau assembly: the dominant role of PHF6 (VQIVYK) in microtubule binding region repeat R3. The Journal of Physical Chemistry. B. 119: 4582-93. PMID 25775228 DOI: 10.1021/acs.jpcb.5b00175  0.52
2015 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. 112: 2758-63. PMID 25691742 DOI: 10.1073/pnas.1418155112  0.52
2015 Morriss-Andrews A, Shea JE. Computational studies of protein aggregation: methods and applications. Annual Review of Physical Chemistry. 66: 643-66. PMID 25648485 DOI: 10.1146/annurev-physchem-040513-103738  0.52
2014 Mullen RG, Shea JE, Peters B. Transmission Coefficients, Committors, and Solvent Coordinates in Ion-Pair Dissociation. Journal of Chemical Theory and Computation. 10: 659-67. PMID 26580043 DOI: 10.1021/ct4009798  0.52
2014 Morriss-Andrews A, Shea JE. Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models. The Journal of Physical Chemistry Letters. 5: 1899-908. PMID 26273871 DOI: 10.1021/jz5006847  0.52
2014 Shea JE. Simulations Pave the Way for Exploring New Frontiers in the Biological Sciences. The Journal of Physical Chemistry Letters. 5: 1783-4. PMID 26270383 DOI: 10.1021/jz5007934  0.52
2014 Mullen RG, Shea JE, Peters B. Communication: an existence test for dividing surfaces without recrossing. The Journal of Chemical Physics. 140: 041104. PMID 25669495 DOI: 10.1063/1.4862504  0.52
2014 Peter EK, Agarwal M, Kim B, Pivkin IV, Shea JE. How water layers on graphene affect folding and adsorption of TrpZip2. The Journal of Chemical Physics. 141: 22D511. PMID 25494782 DOI: 10.1063/1.4896984  0.52
2014 Levine ZA, Venable RM, Watson MC, Lerner MG, Shea JE, Pastor RW, Brown FL. Determination of biomembrane bending moduli in fully atomistic simulations. Journal of the American Chemical Society. 136: 13582-5. PMID 25202918 DOI: 10.1021/ja507910r  0.52
2014 Do TD, Economou NJ, Chamas A, Buratto SK, Shea JE, Bowers MT. Interactions between amyloid-β and Tau fragments promote aberrant aggregates: implications for amyloid toxicity. The Journal of Physical Chemistry. B. 118: 11220-30. PMID 25153942 DOI: 10.1021/jp506258g  0.52
2014 Susa AC, Wu C, Bernstein SL, Dupuis NF, Wang H, Raleigh DP, Shea JE, Bowers MT. Defining the molecular basis of amyloid inhibitors: human islet amyloid polypeptide-insulin interactions. Journal of the American Chemical Society. 136: 12912-9. PMID 25144879 DOI: 10.1021/ja504031d  0.52
2014 Morriss-Andrews A, Brown FL, Shea JE. A coarse-grained model for peptide aggregation on a membrane surface. The Journal of Physical Chemistry. B. 118: 8420-32. PMID 24791936 DOI: 10.1021/jp502871m  0.52
2014 Peter EK, Shea JE. A hybrid MD-kMC algorithm for folding proteins in explicit solvent. Physical Chemistry Chemical Physics : Pccp. 16: 6430-40. PMID 24499973 DOI: 10.1039/c3cp55251a  0.52
2014 Wang X, Vallurupalli P, Vu A, Lee K, Sun S, Bai WJ, Wu C, Zhou H, Shea JE, Kay LE, Dahlquist FW. The linker between the dimerization and catalytic domains of the CheA histidine kinase propagates changes in structure and dynamics that are important for enzymatic activity. Biochemistry. 53: 855-61. PMID 24444349 DOI: 10.1021/bi4012379  0.52
2014 Kamat PV, Prezhdo O, Shea JE, Scholes G, Zaera F, Zwier T, Schatz GC. Why did you accept my paper? Journal of Physical Chemistry Letters. 5: 2443. DOI: 10.1021/jz501139d  0.52
2013 Bleiholder C, Do TD, Wu C, Economou NJ, Bernstein SS, Buratto SK, Shea JE, Bowers MT. Ion mobility spectrometry reveals the mechanism of amyloid formation of Aβ(25-35) and its modulation by inhibitors at the molecular level: epigallocatechin gallate and scyllo-inositol. Journal of the American Chemical Society. 135: 16926-37. PMID 24131107 DOI: 10.1021/ja406197f  0.52
2013 Wu C, Shea JE. Structural similarities and differences between amyloidogenic and non-amyloidogenic islet amyloid polypeptide (IAPP) sequences and implications for the dual physiological and pathological activities of these peptides. Plos Computational Biology. 9: e1003211. PMID 24009497 DOI: 10.1371/journal.pcbi.1003211  0.52
2013 Do TD, LaPointe NE, Economou NJ, Buratto SK, Feinstein SC, Shea JE, Bowers MT. Effects of pH and charge state on peptide assembly: the YVIFL model system. The Journal of Physical Chemistry. B. 117: 10759-68. PMID 23937333 DOI: 10.1021/jp406066d  0.52
2013 Larini L, Shea JE. Double resolution model for studying TMAO/water effective interactions. The Journal of Physical Chemistry. B. 117: 13268-77. PMID 23786631 DOI: 10.1021/jp403635g  0.52
2013 Larini L, Gessel MM, LaPointe NE, Do TD, Bowers MT, Feinstein SC, Shea JE. Initiation of assembly of tau(273-284) and its ΔK280 mutant: an experimental and computational study. Physical Chemistry Chemical Physics : Pccp. 15: 8916-28. PMID 23515417 DOI: 10.1039/c3cp00063j  0.52
2013 Peters B, Bolhuis PG, Mullen RG, Shea JE. Reaction coordinates, one-dimensional Smoluchowski equations, and a test for dynamical self-consistency. The Journal of Chemical Physics. 138: 054106. PMID 23406097 DOI: 10.1063/1.4775807  0.44
2013 Grabow WW, Zhuang Z, Shea JE, Jaeger L. The GA-minor submotif as a case study of RNA modularity, prediction, and design. Wiley Interdisciplinary Reviews. Rna. 4: 181-203. PMID 23378290 DOI: 10.1002/wrna.1153  0.52
2013 Peters B, Bolhuis PG, Mullen RG, Shea JE. Reaction coordinates, one-dimensional Smoluchowski equations, and a test for dynamical self-consistency Journal of Chemical Physics. 138. DOI: 10.1063/1.4775807  0.52
2012 Shea JE, Urbanc B. Insights into Aβ aggregation: a molecular dynamics perspective. Current Topics in Medicinal Chemistry. 12: 2596-610. PMID 23339310 DOI: 10.2174/1568026611212220012  0.52
2012 Morriss-Andrews A, Bellesia G, Shea JE. β-sheet propensity controls the kinetic pathways and morphologies of seeded peptide aggregation. The Journal of Chemical Physics. 137: 145104. PMID 23061868 DOI: 10.1063/1.4755748  0.52
2012 Grabow WW, Zhuang Z, Swank ZN, Shea JE, Jaeger L. The right angle (RA) motif: a prevalent ribosomal RNA structural pattern found in group I introns. Journal of Molecular Biology. 424: 54-67. PMID 22999957 DOI: 10.1016/j.jmb.2012.09.012  0.52
2012 Wang X, Wu C, Vu A, Shea JE, Dahlquist FW. Computational and experimental analyses reveal the essential roles of interdomain linkers in the biological function of chemotaxis histidine kinase CheA. Journal of the American Chemical Society. 134: 16107-10. PMID 22992224 DOI: 10.1021/ja3056694  0.52
2012 Larini L, Shea JE. Role of β-hairpin formation in aggregation: the self-assembly of the amyloid-β(25-35) peptide. Biophysical Journal. 103: 576-86. PMID 22947874 DOI: 10.1016/j.bpj.2012.06.027  0.52
2012 Wu C, Scott J, Shea JE. Binding of Congo red to amyloid protofibrils of the Alzheimer Aβ(9-40) peptide probed by molecular dynamics simulations. Biophysical Journal. 103: 550-7. PMID 22947871 DOI: 10.1016/j.bpj.2012.07.008  0.52
2012 Morriss-Andrews A, Shea JE. Kinetic pathways to peptide aggregation on surfaces: the effects of β-sheet propensity and surface attraction. The Journal of Chemical Physics. 136: 065103. PMID 22360223 DOI: 10.1063/1.3682986  0.52
2012 Larini L, Shea JE. Coarse-grained modeling of simple molecules at different resolutions in the absence of good sampling. The Journal of Physical Chemistry. B. 116: 8337-49. PMID 22292916 DOI: 10.1021/jp2097263  0.52
2012 Gessel MM, Wu C, Li H, Bitan G, Shea JE, Bowers MT. Aβ(39-42) modulates Aβ oligomerization but not fibril formation. Biochemistry. 51: 108-17. PMID 22129303 DOI: 10.1021/bi201520b  0.52
2011 Morriss-Andrews A, Bellesia G, Shea JE. Effects of surface interactions on peptide aggregate morphology. The Journal of Chemical Physics. 135: 085102. PMID 21895220 DOI: 10.1063/1.3624929  0.52
2011 Dupuis NF, Wu C, Shea JE, Bowers MT. The amyloid formation mechanism in human IAPP: dimers have β-strand monomer-monomer interfaces. Journal of the American Chemical Society. 133: 7240-3. PMID 21517093 DOI: 10.1021/ja1081537  0.52
2011 Jiang P, Li W, Shea JE, Mu Y. Resveratrol inhibits the formation of multiple-layered β-sheet oligomers of the human islet amyloid polypeptide segment 22-27. Biophysical Journal. 100: 1550-8. PMID 21402038 DOI: 10.1016/j.bpj.2011.02.010  0.52
2011 Wu C, Shea JE. Coarse-grained models for protein aggregation. Current Opinion in Structural Biology. 21: 209-20. PMID 21371882 DOI: 10.1016/j.sbi.2011.02.002  0.52
2011 Wu C, Bowers MT, Shea JE. On the origin of the stronger binding of PIB over thioflavin T to protofibrils of the Alzheimer amyloid-β peptide: a molecular dynamics study. Biophysical Journal. 100: 1316-24. PMID 21354405 DOI: 10.1016/j.bpj.2011.01.058  0.52
2011 Zhuang Z, Jewett AI, Kuttimalai S, Bellesia G, Gnanakaran S, Shea JE. Assisted peptide folding by surface pattern recognition. Biophysical Journal. 100: 1306-15. PMID 21354404 DOI: 10.1016/j.bpj.2010.12.3735  0.52
2011 Bellesia G, Jewett AI, Shea JE. Relative stability of de novo four-helix bundle proteins: insights from coarse grained molecular simulations. Protein Science : a Publication of the Protein Society. 20: 818-26. PMID 21344535 DOI: 10.1002/pro.605  0.52
2010 Wu C, Shea JE. On the origins of the weak folding cooperativity of a designed ββα ultrafast protein FSD-1. Plos Computational Biology. 6: e1000998. PMID 21124953 DOI: 10.1371/journal.pcbi.1000998  0.52
2010 Wei G, Jewett AI, Shea JE. Structural diversity of dimers of the Alzheimer amyloid-beta(25-35) peptide and polymorphism of the resulting fibrils. Physical Chemistry Chemical Physics : Pccp. 12: 3622-9. PMID 20336261 DOI: 10.1039/c000755m  0.52
2010 Wu C, Bowers MT, Shea JE. Molecular structures of quiescently grown and brain-derived polymorphic fibrils of the Alzheimer amyloid abeta9-40 peptide: a comparison to agitated fibrils. Plos Computational Biology. 6: e1000693. PMID 20221247 DOI: 10.1371/journal.pcbi.1000693  0.52
2010 Grabenauer M, Wu C, Soto P, Shea JE, Bowers MT. Oligomers of the prion protein fragment 106-126 are likely assembled from beta-hairpins in solution, and methionine oxidation inhibits assembly without altering the peptide's monomeric conformation. Journal of the American Chemical Society. 132: 532-9. PMID 20020713 DOI: 10.1021/ja905595k  0.52
2010 Bellesia G, Jewett AI, Shea JE. Sequence periodicity and secondary structure propensity in model proteins. Protein Science : a Publication of the Protein Society. 19: 141-54. PMID 19937649 DOI: 10.1002/pro.288  0.52
2010 Jewett AI, Shea JE. Reconciling theories of chaperonin accelerated folding with experimental evidence. Cellular and Molecular Life Sciences : Cmls. 67: 255-76. PMID 19851829 DOI: 10.1007/s00018-009-0164-6  0.52
2009 Bernstein SL, Dupuis NF, Lazo ND, Wyttenbach T, Condron MM, Bitan G, Teplow DB, Shea JE, Ruotolo BT, Robinson CV, Bowers MT. Amyloid-β protein oligomerization and the importance of tetramers and dodecamers in the aetiology of Alzheimer's disease. Nature Chemistry. 1: 326-31. PMID 20703363 DOI: 10.1038/nchem.247  0.52
2009 Dupuis NF, Wu C, Shea JE, Bowers MT. Human islet amyloid polypeptide monomers form ordered beta-hairpins: a possible direct amyloidogenic precursor. Journal of the American Chemical Society. 131: 18283-92. PMID 19950949 DOI: 10.1021/ja903814q  0.52
2009 Wu C, Biancalana M, Koide S, Shea JE. Binding modes of thioflavin-T to the single-layer beta-sheet of the peptide self-assembly mimics. Journal of Molecular Biology. 394: 627-33. PMID 19799914 DOI: 10.1016/j.jmb.2009.09.056  0.52
2009 Bellesia G, Shea JE. Diversity of kinetic pathways in amyloid fibril formation. The Journal of Chemical Physics. 131: 111102. PMID 19778093 DOI: 10.1063/1.3216103  0.52
2009 Armstrong BD, Soto P, Shea JE, Han S. Overhauser dynamic nuclear polarization and molecular dynamics simulations using pyrroline and piperidine ring nitroxide radicals. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 200: 137-41. PMID 19535275 DOI: 10.1016/j.jmr.2009.05.013  0.52
2009 Bellesia G, Shea JE. Effect of beta-sheet propensity on peptide aggregation. The Journal of Chemical Physics. 130: 145103. PMID 19368476 DOI: 10.1063/1.3108461  0.52
2009 Wu C, Murray MM, Bernstein SL, Condron MM, Bitan G, Shea JE, Bowers MT. The structure of Abeta42 C-terminal fragments probed by a combined experimental and theoretical study. Journal of Molecular Biology. 387: 492-501. PMID 19356595 DOI: 10.1016/j.jmb.2009.01.029  0.52
2009 Murray MM, Krone MG, Bernstein SL, Baumketner A, Condron MM, Lazo ND, Teplow DB, Wyttenbach T, Shea JE, Bowers MT. Amyloid beta-protein: experiment and theory on the 21-30 fragment. The Journal of Physical Chemistry. B. 113: 6041-6. PMID 19341254 DOI: 10.1021/jp808384x  0.52
2009 Zhuang Z, Jewett AI, Soto P, Shea JE. The effect of surface tethering on the folding of the src-SH3 protein domain. Physical Biology. 6: 015004. PMID 19208934 DOI: 10.1088/1478-3975/6/1/015004  0.52
2009 Bellesia G, Shea JE. What determines the structure and stability of KFFE monomers, dimers, and protofibrils? Biophysical Journal. 96: 875-86. PMID 19186127 DOI: 10.1016/j.bpj.2008.10.040  0.52
2009 Penev ES, Lampoudi S, Shea JE. TiReX: Replica-exchange molecular dynamics using Tinker Computer Physics Communications. 180: 2013-2019. DOI: 10.1016/j.cpc.2009.06.005  0.52
2008 Bellesia G, Lampoudi S, Shea JE. Computational methods in nanostructure design: replica exchange simulations of self-assembling peptides. Methods in Molecular Biology (Clifton, N.J.). 474: 133-51. PMID 19031065 DOI: 10.1007/978-1-59745-480-3_9  0.52
2008 Wu C, Wang Z, Lei H, Duan Y, Bowers MT, Shea JE. The binding of thioflavin T and its neutral analog BTA-1 to protofibrils of the Alzheimer's disease Abeta(16-22) peptide probed by molecular dynamics simulations. Journal of Molecular Biology. 384: 718-29. PMID 18851978 DOI: 10.1016/j.jmb.2008.09.062  0.52
2008 Krone MG, Hua L, Soto P, Zhou R, Berne BJ, Shea JE. Role of water in mediating the assembly of Alzheimer amyloid-beta Abeta16-22 protofilaments. Journal of the American Chemical Society. 130: 11066-72. PMID 18661994 DOI: 10.1021/ja8017303  0.52
2008 Krone MG, Baumketner A, Bernstein SL, Wyttenbach T, Lazo ND, Teplow DB, Bowers MT, Shea JE. Effects of familial Alzheimer's disease mutations on the folding nucleation of the amyloid beta-protein. Journal of Molecular Biology. 381: 221-8. PMID 18597778 DOI: 10.1016/j.jmb.2008.05.069  0.52
2008 Bellesia G, Shea JE. Structure and stability of amyloid fibrils formed from synthetic beta-peptides. Frontiers in Bioscience : a Journal and Virtual Library. 13: 6957-65. PMID 18508708 DOI: 10.2741/3202  0.52
2008 Penev E, Ireta J, Shea JE. Energetics of infinite homopolypeptide chains: a new look at commonly used force fields. The Journal of Physical Chemistry. B. 112: 6872-7. PMID 18476737 DOI: 10.1021/jp800058f  0.52
2008 Baumketner A, Krone MG, Shea JE. Role of the familial Dutch mutation E22Q in the folding and aggregation of the 15-28 fragment of the Alzheimer amyloid-beta protein. Proceedings of the National Academy of Sciences of the United States of America. 105: 6027-32. PMID 18408165 DOI: 10.1073/pnas.0708193105  0.52
2008 Jewett AI, Shea JE. Do chaperonins boost protein yields by accelerating folding or preventing aggregation? Biophysical Journal. 94: 2987-93. PMID 18192377 DOI: 10.1529/biophysj.107.113209  0.52
2007 Zhuang Z, Jaeger L, Shea JE. Probing the structural hierarchy and energy landscape of an RNA T-loop hairpin. Nucleic Acids Research. 35: 6995-7002. PMID 17940098 DOI: 10.1093/nar/gkm719  0.52
2007 Soto P, Griffin MA, Shea JE. New insights into the mechanism of Alzheimer amyloid-beta fibrillogenesis inhibition by N-methylated peptides. Biophysical Journal. 93: 3015-25. PMID 17631541 DOI: 10.1529/biophysj.107.112086  0.52
2007 Bellesia G, Shea JE. Self-assembly of beta-sheet forming peptides into chiral fibrillar aggregates. The Journal of Chemical Physics. 126: 245104. PMID 17614592 DOI: 10.1063/1.2739547  0.52
2007 Kamiya N, Mitomo D, Shea JE, Higo J. Folding of the 25 residue Abeta(12-36) peptide in TFE/water: temperature-dependent transition from a funneled free-energy landscape to a rugged one. The Journal of Physical Chemistry. B. 111: 5351-6. PMID 17439167 DOI: 10.1021/jp067075v  0.52
2007 Friedel M, Baumketner A, Shea JE. Stability of a protein tethered to a surface. The Journal of Chemical Physics. 126: 095101. PMID 17362129 DOI: 10.1063/1.2464114  0.52
2007 Baumketner A, Shea JE. The structure of the Alzheimer amyloid beta 10-35 peptide probed through replica-exchange molecular dynamics simulations in explicit solvent. Journal of Molecular Biology. 366: 275-85. PMID 17166516 DOI: 10.1016/j.jmb.2006.11.015  0.52
2006 Jewett AI, Shea JE. Folding on the chaperone: yield enhancement through loose binding. Journal of Molecular Biology. 363: 945-57. PMID 16987526 DOI: 10.1016/j.jmb.2006.08.040  0.52
2006 Teplow DB, Lazo ND, Bitan G, Bernstein S, Wyttenbach T, Bowers MT, Baumketner A, Shea JE, Urbanc B, Cruz L, Borreguero J, Stanley HE. Elucidating amyloid beta-protein folding and assembly: A multidisciplinary approach. Accounts of Chemical Research. 39: 635-45. PMID 16981680 DOI: 10.1021/ar050063s  0.52
2006 Baumketner A, Shea JE. Folding landscapes of the Alzheimer amyloid-beta(12-28) peptide. Journal of Molecular Biology. 362: 567-79. PMID 16930617 DOI: 10.1016/j.jmb.2006.07.032  0.52
2006 Wei G, Shea JE. Effects of solvent on the structure of the Alzheimer amyloid-beta(25-35) peptide. Biophysical Journal. 91: 1638-47. PMID 16766615 DOI: 10.1529/biophysj.105.079186  0.52
2006 Baumketner A, Bernstein SL, Wyttenbach T, Lazo ND, Teplow DB, Bowers MT, Shea JE. Structure of the 21-30 fragment of amyloid beta-protein. Protein Science : a Publication of the Protein Society. 15: 1239-47. PMID 16731963 DOI: 10.1110/ps.062076806  0.52
2006 Friedel M, Baumketner A, Shea JE. Effects of surface tethering on protein folding mechanisms. Proceedings of the National Academy of Sciences of the United States of America. 103: 8396-401. PMID 16709672 DOI: 10.1073/pnas.0601210103  0.52
2006 Soto P, Baumketner A, Shea JE. Aggregation of polyalanine in a hydrophobic environment. The Journal of Chemical Physics. 124: 134904. PMID 16613474 DOI: 10.1063/1.2179803  0.52
2006 Baumketner A, Bernstein SL, Wyttenbach T, Bitan G, Teplow DB, Bowers MT, Shea JE. Amyloid beta-protein monomer structure: a computational and experimental study. Protein Science : a Publication of the Protein Society. 15: 420-8. PMID 16501222 DOI: 10.1110/ps.051762406  0.52
2006 Baumketner A, Shea JE. The thermodynamics of folding of a β hairpin peptide probed through replica exchange molecular dynamics simulations Theoretical Chemistry Accounts. 116: 262-273. DOI: 10.1007/s00214-005-0041-9  0.52
2006 Shea JE, Friedel MR, Baumketner A. Simulations of protein folding Reviews in Computational Chemistry. 22: 169-228.  0.52
2005 Baumketner A, Shea JE. The influence of different treatments of electrostatic interactions on the thermodynamics of folding of peptides. The Journal of Physical Chemistry. B. 109: 21322-8. PMID 16853765 DOI: 10.1021/jp051325a  0.52
2005 Guo W, Shea JE, Berry RS. The physics of the interactions governing folding and association of proteins. Annals of the New York Academy of Sciences. 1066: 34-53. PMID 16533917 DOI: 10.1196/annals.1363.025  0.52
2005 Griffin MA, Friedel M, Shea JE. Effects of frustration, confinement, and surface interactions on the dimerization of an off-lattice beta-barrel protein. The Journal of Chemical Physics. 123: 174707. PMID 16375557 DOI: 10.1063/1.2101458  0.52
2005 Baumketner A, Shea JE. Free energy landscapes for amyloidogenic tetrapeptides dimerization Biophysical Journal. 89: 1493-1503. PMID 16127168 DOI: 10.1529/biophysj.105.059196  0.52
2005 Ding F, Guo W, Dokholyan NV, Shakhnovich EI, Shea JE. Reconstruction of the src-SH3 protein domain transition state ensemble using multiscale molecular dynamics simulations. Journal of Molecular Biology. 350: 1035-50. PMID 15982666 DOI: 10.1016/j.jmb.2005.05.017  0.52
2005 Bernstein SL, Wyttenbach T, Baumketner A, Shea JE, Bitan G, Teplow DB, Bowers MT. Amyloid beta-protein: monomer structure and early aggregation states of Abeta42 and its Pro19 alloform. Journal of the American Chemical Society. 127: 2075-84. PMID 15713083 DOI: 10.1021/ja044531p  0.52
2004 Friedel M, Shea JE. Self-assembly of peptides into a beta-barrel motif. The Journal of Chemical Physics. 120: 5809-23. PMID 15267461 DOI: 10.1063/1.1649934  0.52
2004 Guo W, Lampoudi S, Shea JE. Temperature dependence of the free energy landscape of the src-SH3 protein domain. Proteins. 55: 395-406. PMID 15048830 DOI: 10.1002/prot.20053  0.52
2003 Guo W, Lampoudi S, Shea JE. Posttransition state desolvation of the hydrophobic core of the src-SH3 protein domain. Biophysical Journal. 85: 61-9. PMID 12829464 DOI: 10.1016/S0006-3495(03)74454-3  0.52
2002 Shea JE, Onuchic JN, Brooks CL. Probing the folding free energy landscape of the Src-SH3 protein domain. Proceedings of the National Academy of Sciences of the United States of America. 99: 16064-8. PMID 12446834 DOI: 10.1073/pnas.242293099  0.52
Show low-probability matches.