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Peter J. Rossky
Researcher at Rice University
Publications - 285
Citations - 22396
Peter J. Rossky is an academic researcher from Rice University. The author has contributed to research in topics: Solvation & Excited state. The author has an hindex of 74, co-authored 280 publications receiving 21183 citations. Previous affiliations of Peter J. Rossky include Fu Jen Catholic University & University of Texas at Austin.
Papers
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A simple atomic-level hydrophobicity scale reveals protein interfacial structure.
Lauren H. Kapcha,Peter J. Rossky +1 more
TL;DR: A simple binary but atomic-level hydrophobicity scale that allows for the classification of polar and non-polar moieties within single residues, including backbone atoms, is introduced.
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Mechanistic elements of protein cold denaturation.
TL;DR: Analysis of changes in protein hydration and protein motion from molecular dynamics simulation trajectories initially at 310 K, followed by a temperature drop to 278 K, shows an increase in the number of solvent contacts around the protein and, in particular, distinctly around nonpolar atoms.
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Molecular conformational equilibria in liquids
Dominic Zichi,Peter J. Rossky +1 more
TL;DR: In this article, solvent induced torsional free energysurfaces are computed for the solutes n−butane and 1, 2−dichloroethane at infinite dilution in apolar and polar model liquids, CCl4 and water.
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Solvent molecular dynamics in regions of hydrophobic hydration
Dominic Zichi,Peter J. Rossky +1 more
TL;DR: In this paper, the solvent in an aqueous solution of two nonpolar atomic solutes which are constrained to an interatomic distance corresponding to a solvent-separated free energy minimum is analyzed.
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Water reorientation, hydrogen-bond dynamics and 2D-IR spectroscopy next to an extended hydrophobic surface
TL;DR: This work shows that the water OH bonds lying next to the hydrophobic surface fall into two subensembles with distinct dynamical reorientation properties, and establishes a connection between the spectral dynamics and the dynamical properties that are obtained directly from the simulations.