List of works by M Scott Shell

A hybrid, bottom-up, structurally accurate, Go¯-like coarse-grained protein model

scientific article published on 01 July 2019

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

scientific article published on 01 January 2021

An Information-Theory-Based Approach for Optimal Model Reduction of Biomolecules

scientific article published on 27 October 2020

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

End-to-End Distance Probability Distributions of Dilute Poly(ethylene oxide) in Aqueous Solution

scientific article published on 03 November 2020

Erratum: "Evaporation-induced assembly of colloidal crystals" [J. Chem. Phys. 149, 094901 (2018)]

scientific article published on 01 November 2018

Evaporation-induced assembly of colloidal crystals

scientific article published on 01 September 2018

Exploring the landscape of model representations

scientific article published on 14 September 2020

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

scientific article published on 01 October 2020

Learning composition-transferable coarse-grained models: Designing external potential ensembles to maximize thermodynamic information

scientific article published on 01 October 2020

Transferability of Local Density-Assisted Implicit Solvation Models for Homogeneous Fluid Mixtures

scientific article published on 29 April 2019

Transferable Coarse-Grained Models of Liquid-Liquid Equilibrium Using Local Density Potentials Optimized with the Relative Entropy.

scientific article published on 21 February 2018

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