Publications

Filters: Author is Shea, Joan-Emma  [Clear All Filters]
Journal Article
Do TD, Economou NJ, Chamas A, Buratto SK, Shea J-E, Bowers MT.  2014.  Interactions between Amyloid-$\beta$ and Tau Fragments Promote Aberrant Aggregates: Implications for Amyloid Toxicity. The Journal of Physical Chemistry B. 118:11220–11230.
Ganguly P, van der Vegt NFA, Shea J-E.  2016.  Hydrophobic Association in Mixed Urea–TMAO Solutions. Journal of Physical Chemistry Letters. 7(15):3052-3059.
Shea J-E, Peter EKarl.  2014.  A hybrid MD-kMC algorithm for folding proteins in explicit solvent. Physical Chemistry Chemical Physics.
Peter EK, Agarwal M, Kim B, Pivkin IV, Shea J-E.  2014.  How water layers on graphene affect folding and adsorption of TrpZip2. The Journal of Chemical Physics. 141:22D511.
Arsiccio A, McCarty J, Pisano R, Shea J-E.  2020.  Heightened Cold-Denaturation of Proteins at the Ice-Water Interface. Journal of the American Chemical Society.
Do TD, LaPointe NE, Economou NJ, Buratto SK, Feinstein SC, Shea J-E, Bowers MT.  2013.  Effects of pH and Charge State on Peptide Assembly: the YVIFL Model System. Journal of Physical Chemistry B. 117(13):10768.
Arsiccio A, McCarty J, Pisano R, Shea J-E.  2018.  Effect of Surfactants on Surface-Induced Denaturation of Proteins: Evidence of an Orientation-Dependent Mechanism. The Journal of Physical Chemistry B. 122:11390–11399.
Mullen RGotchy, Shea J-E, Peters B.  2015.  Easy Transition Path Sampling Methods: Flexible Length Aimless Shooting and Permutation Shooting. Journal of Chemical Theory and Computation.
Wonderly WR, Cristiani TR, Cunha KC, Degen GD, Shea J-E, J Waite H.  2020.  Dueling Backbones: Comparing Peptoid and Peptide Analogues of a Mussel Adhesive Protein. Macromolecules. 53:6767–6779.
Larini L, Shea J-E.  2013.  Double Resolution Model for Studying TMAO/Water Effective Interactions. The Journal of Physical Chemistry B. 117:13268–13277.
Ganguly P, Shea J-E.  2019.  Distinct and Nonadditive Effects of Urea and Guanidinium Chloride on Peptide Solvation. The journal of physical chemistry letters. 10:7406–7413.
Levine ZA, Venable RM, Watson MC, Lerner MG, Shea J-E, Pastor RW, Brown FLH.  2014.  Determination of Biomembrane Bending Moduli in Fully Atomistic Simulations. Journal of the American Chemical Society. 136:13582–13585.
Park S, Barnes R, Lin Y, Jeon B-jin, Najafi S, Delaney KT, Fredrickson GH, Shea J-E, Hwang DSoo, Han S.  2020.  Dehydration entropy drives liquid-liquid phase separation by molecular crowding. Communications Chemistry. 3:1–12.
Susa AC, Wu C, Bernstein SL, Dupuis NF, Wang H, Raleigh DP, Shea J-E, Bowers MT.  2014.  Defining the Molecular Basis of Amyloid Inhibitors: Human Islet Amyloid Polypeptide-Insulin Interactions. Journal of the American Chemical Society.
Morriss-Andrews A, Shea J-E.  2015.  Computational Studies of Protein Aggregation: Methods and Applications. Annual review of physical chemistry. 66:643–666.
Mullen RGotchy, Shea J-E, Peters B.  2014.  Communication: An existence test for dividing surfaces without recrossing. The Journal of Chemical Physics. 140:041104.
Morriss-Andrews A, Brown FLeon Halet, Shea J-E.  2014.  A Coarse-Grained Model for Peptide Aggregation on a Membrane Surface. The Journal of Physical Chemistry B.
Kristoffersen HH, Shea J-E, Metiu H.  2015.  Catechol and HCl Adsorption on TiO2 (110) in Vacuum and at the Water–TiO2 Interface. The journal of physical chemistry letters. 6:2277–2281.
Wong AG, Wu C, Hannaberry E, Watson MD, Shea J-E, Raleigh DP.  2016.  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. 55:510–518.
Kim B, Do TD, Hayden EY, Teplow DB, Bowers MT, Shea J-E.  2016.  Aggregation of Chameleon Peptides: Implications of $\alpha$-Helicity in Fibril Formation. Journal of Physical Chemistry B. 120(26):5874-5883.
Arsiccio A, Ganguly P, La Cortiglia L, Shea J-E, Pisano R.  2020.  ADD Force Field for Sugars and Polyols: Predicting the Additivity of Protein–Osmolyte Interaction. The Journal of Physical Chemistry B. 124:7779–7790.
de Almeida NEC, Do TD, LaPointe NE, Tro M, Feinstein SC, Shea J-E, Bowers MT.  2017.  1,2,3,4,6-penta-O-galloyl-β-d-glucopyranose binds to the N-terminal metal binding region to inhibit amyloid β-protein oligomer and fibril formation. International Journal of Mass Spectrometry. 420

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