310 citations · 1.2k across the 14 of their papers we have counts for
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Characterizing Solvent Density Fluctuations in Dynamical Observation Volumes
Zhitong Jiang, Richard C. Remsing, Nicholas B. Rego +1
Hydrophobic effects drive diverse aqueous assemblies, such as micelle formation or protein folding, wherein the solvent plays an important role. Consequently, characterizing the fr…
Characterizing Surface Wetting and Interfacial Properties using Enhanced Sampling (SWIPES)
Hao Jiang, Suruchi Fialoke, Zachariah Vicars +1
We introduce an accurate and efficient method for characterizing surface wetting and interfacial properties, such as the contact angle made by a liquid droplet on a solid surface,…
Protein Hydration Waters are Susceptible to Unfavorable Perturbations
Nicholas B. Rego, Erte Xi, Amish J. Patel
The interactions of a protein, its phase behavior, and ultimately, its ability to function, are all influenced by the interactions between the protein and its hydration waters. Her…
Sparse Sampling of Water Density Fluctuations near Liquid-Vapor Coexistence
Erte Xi, Sean M. Marks, Suruchi Fialoke +1
The free energetics of water density fluctuations in bulk water, at interfaces, and in hydrophobic confinement inform the hydration of hydrophobic solutes as well as their interact…