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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 ShellLangmuir : the ACS Journal of Surfaces and Colloids|October 21, 2015
To What Extent Does Surface Hydrophobicity Dictate Peptide Folding and Stability near Surfaces?Gül H Zerze, Ryan G Mullen, Zachary A Levine, et al.Proceedings of the National Academy of Sciences of the United States of America|February 19, 2015
Regulation and aggregation of intrinsically disordered peptidesZachary A Levine, Luca Larini, Nichole E LaPointe, et al.Biophysical Journal|March 1, 2011
Assisted peptide folding by surface pattern recognitionZhuoyun Zhuang, Andrew I Jewett, Silvan Kuttimalai, et al.Journal of Molecular Biology|October 15, 2008
The binding of thioflavin T and its neutral analog BTA-1 to protofibrils of the Alzheimer's disease Abeta(16-22) peptide probed by molecular dynamics simulationsChun Wu, Zhixiang Wang, Hongxing Lei, 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 ShellPageof 28