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List of works by Jacob I Monroe

Affinity of small-molecule solutes to hydrophobic, hydrophilic, and chemically patterned interfaces in aqueous solution

scientific article published on 01 January 2021

Are AMBER Force Fields and Implicit Solvation Models Additive? A Folding Study with a Balanced Peptide Test Set.

scientific article published on 12 October 2016

Best Practices for Foundations in Molecular Simulations [Article v1.0]

scientific article published on 29 November 2018

Computational discovery of chemically patterned surfaces that effect unique hydration water dynamics

scientific article published on 23 July 2018

Decoding signatures of structure, bulk thermodynamics, and solvation in three-body angle distributions of rigid water models

scientific article published on 01 September 2019

Extrapolation and interpolation strategies for efficiently estimating structural observables as a function of temperature and density

scientific article published on 01 October 2020

Learning Efficient, Collective Monte Carlo Moves with Variational Autoencoders

scientific article published on 25 May 2022

Surface chemical heterogeneity modulates silica surface hydration

scientific article published on 05 March 2018

Unraveling Hydrophobic Interactions at the Molecular Scale Using Force Spectroscopy and Molecular Dynamics Simulations.

scientific article

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