305 citations · 1.7k across the 51 of their papers we have counts for
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Direct Numerical Test of the Statistical Mechanical Theory of Hydrophobic Interactions
M. I. Chaudhari, S. Holleran, H. S. Ashbaugh +1
This work tests the statistical mechanical theory of hydrophobic interactions, isolates consequences of excluded volume interactions, and obtains B2 for those purposes. Cavity meth…
Role of attractive methane-water interactions in the potential of mean force between methane molecules in water
D. Asthagiri, Safir Merchant, Lawrence R. Pratt
On the basis of a gaussian quasi-chemical model of hydration, a model of non van der Waals character, we explore the role of attractive methane-water interactions in the hydration…
What is special about water as a matrix of life?
Lawrence R. Pratt, Andrew Pohorille, D. Asthagiri
Water offers a large temperature domain of stable liquid, and the characteristic hydrophobic effects are first a consequence of the temperature insensitivity of equation-of-state f…
Gaussian Models for the Statistical Thermodynamics of Liquid Water
J. K. Shah, D. Asthagiri, L. R. Pratt +1
A gaussian distribution of binding energies, but conditioned to exploit generally available information on packing in liquids, provides a statistical-thermodynamic theory of liquid…
Role of fluctuations in a snug-fit mechanism of KcsA channel selectivity
D. Asthagiri, Lawrence R. Pratt, Michael E. Paulaitis
The KcsA potassium channel belongs to a class of K+ channels that is selective for K+ over Na+ at rates of K+ transport approaching the diffusion limit. This selectivity is explain…
Scaled-Particle Theory and the Length-scales Involved in Hydrophobic Hydration of Aqueous Biomolecular Assemblies
Henry S. Ashbaugh, Lawrence R. Pratt
Hydrophobic hydration plays a crucial role in self-assembly processes over multiple length-scales, but the extrapolation of molecular-scale models to larger length-scale hydration…