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The Journal of Chemical Physics|September 2, 2021
Effect of configuration-dependent multi-body forces on interconversion kinetics of a chiral tetramer modelNikolai D Petsev, Frank H Stillinger, Pablo G Debenedetti
Scientific Reports|May 7, 2016
Computational investigation of dynamical transitions in Trp-cage miniprotein powdersSang Beom Kim, Devansh R Gupta, Pablo G Debenedetti
Proceedings of the National Academy of Sciences of the United States of America|July 27, 2016
Computational investigation of cold denaturation in the Trp-cage miniproteinSang Beom Kim, Jeremy C Palmer, Pablo G Debenedetti
Physical 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 Panagiotopoulos
The Journal of Physical Chemistry. B|December 10, 2021
A Computational Study of RNA Tetraloop Thermodynamics, Including Misfolded StatesGül H Zerze, Pablo M Piaggi, Pablo G Debenedetti
The Journal of Physical Chemistry. B|June 7, 2020
The Handedness of DNA Assembly around Carbon Nanotubes Is Determined by the Chirality of DNAGül H Zerze, Frank H Stillinger, Pablo G Debenedetti
Proteins|November 15, 2005
Computational characterization of the sequence landscape in simple protein alphabetsM Scott Shell, Pablo G Debenedetti, Athanassios Z Panagiotopoulos
The Journal of Physical Chemistry. B|January 14, 2015
A computational study of the effect of matrix structural order on water sorption by Trp-cage miniproteinsSang Beom Kim, Jeremy C Palmer, Pablo G Debenedetti
The Journal of Chemical Physics|November 15, 2006
Computational probes of molecular motion in the Lewis-Wahnstrom model for ortho-terphenylThomas G Lombardo, Pablo G Debenedetti, Frank H Stillinger
Chemical Science|November 27, 2019
A generalized deep learning approach for local structure identification in molecular simulationsRyan S DeFever, Colin Targonski, Steven W Hall, et al.
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