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The Journal of Chemical Physics|April 17, 2016
Two-state thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 waterRakesh S Singh, John W Biddle, Pablo G Debenedetti, et al.
The Journal of Chemical Physics|April 12, 2011
Integrating diffusion maps with umbrella sampling: application to alanine dipeptideAndrew L Ferguson, Athanassios Z Panagiotopoulos, Pablo G Debenedetti, et al.
The Journal of Physical Chemistry. B|September 6, 2014
A Comparison of the Predictive Capabilities of the Embedded-Atom Method and Modified Embedded-Atom Method Potentials for LithiumJoseph R Vella, Frank H Stillinger, Athanassios Z Panagiotopoulos, et al.
The Journal of Chemical Physics|May 10, 2008
The effect of sequence on the conformational stability of a model heteropolymer in explicit waterBryan A Patel, Pablo G Debenedetti, Frank H Stillinger, et al.
The Journal of Physical Chemistry. B|June 28, 2014
Molecular dynamics simulations of water permeation across Nafion membrane interfacesKevin B Daly, Jay B Benziger, Athanassios Z Panagiotopoulos, et al.
Physical Chemistry Chemical Physics : PCCP|January 19, 2016
Computational investigation of structure, dynamics and nucleation kinetics of a family of modified Stillinger-Weber model fluids in bulk and free-standing thin filmsMelisa M Gianetti, Amir Haji-Akbari, M Paula Longinotti, et al.
The Journal of Physical Chemistry. B|May 26, 2018
Computational Investigation of the Effect of Backbone Chiral Inversions on Polypeptide StructureGül H Zerze, Mohammad Navaid Khan, Frank H Stillinger, et al.
Biophysical Journal|September 4, 2007
A water-explicit lattice model of heat-, cold-, and pressure-induced protein unfoldingBryan A Patel, Pablo G Debenedetti, Frank H Stillinger, et al.
The Journal of Chemical Physics|March 2, 2015
Systematic characterization of protein folding pathways using diffusion maps: application to Trp-cage miniproteinSang Beom Kim, Carmeline J Dsilva, Ioannis G Kevrekidis, et al.
The Journal of Physical Chemistry. B|September 26, 2022
Crystal Prediction via Genetic Algorithms in a Model Chiral SystemNikolai D Petsev, Arash Nikoubashman, Folarin Latinwo, et al.
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