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The Journal of Chemical Physics|September 8, 2019
Decoding signatures of structure, bulk thermodynamics, and solvation in three-body angle distributions of rigid water modelsJacob I Monroe, M Scott ShellProceedings of the National Academy of Sciences of the United States of America|July 25, 2018
Computational discovery of chemically patterned surfaces that effect unique hydration water dynamicsJacob I Monroe, M Scott ShellJournal 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 ShellACS Nano|March 8, 2017
Unraveling Hydrophobic Interactions at the Molecular Scale Using Force Spectroscopy and Molecular Dynamics SimulationsPhilipp Stock, Jacob I Monroe, Thomas Utzig, et al.The Journal of Chemical Physics|October 22, 2020
Extrapolation and interpolation strategies for efficiently estimating structural observables as a function of temperature and densityJacob I Monroe, Harold W Hatch, Nathan A Mahynski, 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.Journal of the American Chemical Society|January 18, 2022
Evidence for Entropically Controlled Interfacial Hydration in Mesoporous OrganosilicasHyunjin Moon, Ryan P Collanton, Jacob I Monroe, 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 ShellProceedings of the National Academy of Sciences of the United States of America|March 7, 2018
Surface chemical heterogeneity modulates silica surface hydrationAlex M Schrader, Jacob I Monroe, Ryan Sheil, et al.Pageof 11