M. Scott Shell
Title
Cited by
Cited by
Year
The protein folding problem
KA Dill, SB Ozkan, MS Shell, TR Weikl
Annu. Rev. Biophys. 37, 289-316, 2008
10312008
The relative entropy is fundamental to multiscale and inverse thermodynamic problems
MS Shell
The Journal of chemical physics 129 (14), 144108, 2008
4392008
Molecular structural order and anomalies in liquid silica
MS Shell, PG Debenedetti, AZ Panagiotopoulos
Physical Review E 66 (1), 011202, 2002
2732002
Generalization of the Wang-Landau method for off-lattice simulations
MS Shell, PG Debenedetti, AZ Panagiotopoulos
Physical review E 66 (5), 056703, 2002
2692002
Coarse-graining errors and numerical optimization using a relative entropy framework
A Chaimovich, MS Shell
The Journal of chemical physics 134 (9), 094112, 2011
2012011
The search for the hydrophobic force law
MU Hammer, TH Anderson, A Chaimovich, MS Shell, J Israelachvili
Faraday discussions 146, 299-308, 2010
1732010
An improved Monte Carlo method for direct calculation of the density of states
MS Shell, PG Debenedetti, AZ Panagiotopoulos
The Journal of chemical physics 119 (18), 9406-9411, 2003
1652003
A test on peptide stability of AMBER force fields with implicit solvation
MS Shell, R Ritterson, KA Dill
The Journal of Physical Chemistry B 112 (22), 6878-6886, 2008
1562008
Anomalous waterlike behavior in spherically-symmetric water models optimized with the relative entropy
A Chaimovich, MS Shell
Physical Chemistry Chemical Physics 11 (12), 1901-1915, 2009
1202009
A new multiscale algorithm and its application to coarse-grained peptide models for self-assembly
SP Carmichael, MS Shell
The Journal of Physical Chemistry B 116 (29), 8383-8393, 2012
1112012
The impact of resolution upon entropy and information in coarse-grained models
TT Foley, MS Shell, WG Noid
The Journal of chemical physics 143 (24), 12B601_1, 2015
852015
Relative entropy as a universal metric for multiscale errors
A Chaimovich, MS Shell
Physical Review E 81 (6), 060104, 2010
812010
Dynamic heterogeneity and non-Gaussian behaviour in a model supercooled liquid
MS Shell, PG Debenedetti, FH Stillinger
Journal of Physics: Condensed Matter 17 (49), S4035, 2005
722005
Energy landscapes, ideal glasses, and their equation of state
MS Shell, PG Debenedetti, E La Nave, F Sciortino
The Journal of chemical physics 118 (19), 8821-8830, 2003
662003
Development of an optimized activatable MMP-14 targeted SPECT imaging probe
GA Watkins, EF Jones, MS Shell, HF VanBrocklin, MH Pan, SM Hanrahan, ...
Bioorganic & medicinal chemistry 17 (2), 653-659, 2009
632009
Coarse-grained models using local-density potentials optimized with the relative entropy: Application to implicit solvation
T Sanyal, MS Shell
The Journal of chemical physics 145 (3), 034109, 2016
612016
Molecular insights into diphenylalanine nanotube assembly: all-atom simulations of oligomerization
J Jeon, CE Mills, MS Shell
The Journal of Physical Chemistry B 117 (15), 3935-3943, 2013
582013
Coarse-graining with the relative entropy
MS Shell
Advances in chemical physics 161, 395-441, 2016
552016
Thermodynamics and statistical mechanics: an integrated approach
MS Shell
Cambridge University Press, 2015
542015
Electric double-layer structure in primitive model electrolytes: comparing molecular dynamics with local-density approximations
B Giera, N Henson, EM Kober, MS Shell, TM Squires
Langmuir 31 (11), 3553-3562, 2015
522015
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Articles 1–20