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Journal Article

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.

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.

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.

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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Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 1720256) at UC Santa Barbara.