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The Journal of Physical Chemistry. B|September 15, 2006
Quantitative link between single-particle dynamics and static structure of supercooled liquidsJeetain Mittal, Jeffrey R Errington, Thomas M TruskettThe Journal of Physical Chemistry. B|October 28, 2014
Disorder in cholesterol-binding functionality of CRAC peptides: a molecular dynamics studyCayla M Miller, Angela C Brown, Jeetain MittalPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|September 28, 2010
Relative entropy as a universal metric for multiscale errorsAviel Chaimovich, M Scott ShellThe Journal of Chemical Physics|February 17, 2011
Two-dimensional replica exchange approach for peptide-peptide interactionsJason Gee, M Scott ShellThe Journal of Chemical Physics|March 10, 2011
Coarse-graining errors and numerical optimization using a relative entropy frameworkAviel Chaimovich, M Scott ShellThe Journal of Physical Chemistry. B|March 27, 2025
Characterizing the Sequence Landscape of Peptide Fibrillization with a Bottom-Up Coarse-Grained ModelEvan Pretti, M Scott ShellBiophysical Journal|July 10, 2012
Charge effects on the fibril-forming peptide KTVIIE: a two-dimensional replica exchange simulation studyJoohyun Jeon, M Scott ShellThe Journal of Physical Chemistry. B|June 1, 2014
Self-assembly of cyclo-diphenylalanine peptides in vacuumJoohyun Jeon, M Scott ShellThe Journal of Chemical Physics|September 9, 2021
A microcanonical approach to temperature-transferable coarse-grained models using the relative entropyEvan Pretti, M Scott ShellThe Journal of Chemical Physics|March 25, 2024
Inverse design of pore wall chemistry and topology through active learning of surface group interactionsSally Jiao, M Scott ShellPageof 30