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The 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 ShellThe Journal of Physical Chemistry. B|February 23, 2018
Transferable Coarse-Grained Models of Liquid-Liquid Equilibrium Using Local Density Potentials Optimized with the Relative EntropyTanmoy Sanyal, M Scott ShellPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|October 30, 2014
Tetrahedrality and structural order for hydrophobic interactions in a coarse-grained water modelAviel Chaimovich, M Scott ShellPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|December 17, 2013
Length-scale crossover of the hydrophobic interaction in a coarse-grained water modelAviel Chaimovich, M Scott ShellPhysical Chemistry Chemical Physics : PCCP|March 13, 2009
Anomalous waterlike behavior in spherically-symmetric water models optimized with the relative entropyAviel Chaimovich, M Scott ShellJournal of Chemical Theory and Computation|November 28, 2015
Convergence and Heterogeneity in Peptide Folding with Replica Exchange Molecular DynamicsEdmund Lin, M Scott ShellThe Journal of Chemical Physics|July 25, 2016
Coarse-grained models using local-density potentials optimized with the relative entropy: Application to implicit solvationTanmoy Sanyal, M Scott ShellPhysical Review. E|November 15, 2016
Peptide binding landscapes: Specificity and homophilicity across sequence space in a lattice modelJoohyun Jeon, M Scott ShellProceedings of the National Academy of Sciences of the United States of America|November 20, 2023
Mapping the configurational landscape and aggregation phase behavior of the tau protein fragment PHF6Evan Pretti, M Scott ShellThe Journal of Physical Chemistry. B|August 25, 2010
Can peptide folding simulations provide predictive information for aggregation propensity?Edmund I Lin, M Scott ShellPageof 11