Publications

Found 12 results
Author [ Title(Asc)] Type Year
Filters: Author is Shea, Joan-Emma  [Clear All Filters]
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Mullen RGotchy, Shea J-E, Peters B.  2014.  Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation. Journal of Chemical Theory and Computation.
S
Wu C, Shea J-E.  2013.  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.
Morriss-Andrews A, Shea J-E.  2014.  Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models. The Journal of Physical Chemistry Letters.
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Wang X, Vallurupalli P, Vu A, Lee K, Sun S, Bai W-J, Wu C, Zhou H, Shea J-E, Kay LEdward et al..  2014.  The Linker between the Dimerization and Catalytic Domains of the CheA Histidine Kinase Propagates Changes in Structure and Dynamics Important for the Enzymatic Activity. Biochemistry.
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Bleiholder C, Do TD, Wu C, Economou NJ, Bernstein SS, Buratto SK, Shea J-E, Bowers MT.  2013.  Ion Mobility Spectrometry Reveals the Mechanism of Amyloid Formation of A beta (25–35) and Its Modulation by Inhibitors at the Molecular Level: Epigallocatechin Gallate and Scyllo-inositol. Journal of the American Chemical Society. 135:16926–16937.
H
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.
E
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. The Journal of Physical Chemistry B. 117:10759–10768.
D
Larini L, Shea J-E.  2013.  Double Resolution Model for Studying TMAO/Water Effective Interactions. The Journal of Physical Chemistry B. 117:13268–13277.
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.
C
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.