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The Journal of Physical Chemistry. B|February 4, 2012
A new multiscale algorithm and its application to coarse-grained peptide models for self-assemblyScott P Carmichael, M Scott ShellThe Journal of Physical Chemistry Letters|July 22, 2016
Hydrophobic Association in Mixed Urea-TMAO SolutionsPritam Ganguly, Nico F A van der Vegt, Joan-Emma SheaThe Journal of Physical Chemistry. B|July 25, 2015
Trp-Cage Folding on Organic SurfacesZachary A Levine, Sean A Fischer, Joan-Emma Shea, et al.The Journal of Chemical Physics|September 16, 2021
CORE-MD II: A fast, adaptive, and accurate enhanced sampling methodEmanuel K Peter, Dietmar J Manstein, Joan-Emma Shea, et al.Journal of the American Chemical Society|April 27, 2011
The amyloid formation mechanism in human IAPP: dimers have β-strand monomer-monomer interfacesNicholas F Dupuis, Chun Wu, Joan-Emma Shea, et al.Journal of the American Chemical Society|December 3, 2009
Human islet amyloid polypeptide monomers form ordered beta-hairpins: a possible direct amyloidogenic precursorNicholas F Dupuis, Chun Wu, Joan-Emma Shea, et al.The Journal of Chemical Physics|February 15, 2013
Reaction coordinates, one-dimensional Smoluchowski equations, and a test for dynamical self-consistencyBaron Peters, Peter G Bolhuis, Ryan G Mullen, et al.Biophysical Journal|November 10, 2011
Smoothing protein energy landscapes by integrating folding models with structure predictionAri Pritchard-Bell, M Scott ShellPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|July 13, 2004
Thermodynamics and the glass transition in model energy landscapesM Scott Shell, Pablo G DebenedettiThe Journal of Chemical Physics|November 5, 2013
A simple mechanism for emergent chirality in achiral hard particle assemblyScott P Carmichael, M Scott ShellPageof 28