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Langmuir : the ACS Journal of Surfaces and Colloids|December 20, 2023
Relationships between Water's Structure and Solute Affinity at Polypeptoid Brush SurfacesSally Jiao, Dennis C Robinson Brown, M Scott ShellThe Journal of Chemical Physics|March 25, 2024
Inverse design of pore wall chemistry and topology through active learning of surface group interactionsSally Jiao, M Scott ShellACS Central Science|January 2, 2023
Inverse Design of Pore Wall Chemistry To Control Solute Transport and SelectivitySally Jiao, Lynn E Katz, M Scott ShellPhysical Chemistry Chemical Physics : PCCP|May 14, 2024
Computation of Overhauser dynamic nuclear polarization processes reveals fundamental correlation between water dynamics, structure, and solvent restructuring entropyDennis C Robinson Brown, Thomas R Webber, Thomas M Casey, et al.The Journal of Chemical Physics|December 10, 2025
A systematic methodology to develop bottom-up coarse-grained models for sequence-specific polypeptoidsDaniela M Rivera Mirabal, Sally Jiao, Shawn D Mengel, et al.Biomacromolecules|March 11, 2022
Sequence Modulates Polypeptoid Hydration Water Structure and DynamicsSally Jiao, Daniela M Rivera Mirabal, Audra J DeStefano, et al.Proceedings of the National Academy of Sciences of the United States of America|December 29, 2020
Affinity of small-molecule solutes to hydrophobic, hydrophilic, and chemically patterned interfaces in aqueous solutionJacob I Monroe, Sally Jiao, R Justin Davis, et al.The Journal of Physical Chemistry. B|May 12, 2023
Relationships between Molecular Structural Order Parameters and Equilibrium Water Dynamics in Aqueous MixturesDennis Charles Robinson Brown, Thomas R Webber, Sally Jiao, et al.The Journal of Chemical Physics|September 4, 2012
Systematic coarse-graining of potential energy landscapes and dynamics in liquidsM Scott ShellThe Journal of Chemical Physics|December 3, 2008
The relative entropy is fundamental to multiscale and inverse thermodynamic problemsM Scott ShellPageof 10