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The Journal of Physical Chemistry. B|March 26, 2013
Molecular insights into diphenylalanine nanotube assembly: all-atom simulations of oligomerizationJoohyun Jeon, Carolyn E Mills, M Scott ShellThe Journal of Physical Chemistry. B|May 13, 2008
A test on peptide stability of AMBER force fields with implicit solvationM Scott Shell, Ryan Ritterson, Ken A DillACS Central Science|January 2, 2023
Inverse Design of Pore Wall Chemistry To Control Solute Transport and SelectivitySally Jiao, Lynn E Katz, M Scott ShellNature Communications|May 4, 2019
Using symmetry to elucidate the importance of stoichiometry in colloidal crystal assemblyNathan A Mahynski, Evan Pretti, Vincent K Shen, et al.The Journal of Physical Chemistry. A|March 17, 2020
Symmetry-Based Crystal Structure Enumeration in Two DimensionsEvan Pretti, Vincent K Shen, Jeetain Mittal, et al.Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|January 7, 2003
Generalization of the Wang-Landau method for off-lattice simulationsM Scott Shell, Pablo G Debenedetti, Athanassios Z PanagiotopoulosThe Journal of Physical Chemistry. B|July 21, 2006
Novel computational probes of diffusive motionM Scott Shell, Pablo G Debenedetti, Frank H StillingerJournal of Chemical Theory and Computation|October 13, 2016
Are AMBER Force Fields and Implicit Solvation Models Additive? A Folding Study with a Balanced Peptide Test SetMelina K Robinson, Jacob I Monroe, M Scott ShellThe Journal of Chemical Physics|January 3, 2016
The impact of resolution upon entropy and information in coarse-grained modelsThomas T Foley, M Scott Shell, W G NoidPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|September 21, 2002
Molecular structural order and anomalies in liquid silicaM Scott Shell, Pablo G Debenedetti, Athanassios Z PanagiotopoulosPageof 11