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The Journal of Physical Chemistry Letters|March 12, 2026
Anomalous Ion Confinement Penalties and Giant Ion-Screening Effects in One-Dimensional NanoporesKevin Leung
The Journal of Chemical Physics|April 10, 2020
First-principles modeling of chemistry in mixed solvents: Where to go from here?Alex M Maldonado, Yasemin Basdogan, Joshua T Berryman, et al.
Journal of Chemical Theory and Computation|July 26, 2011
A theoretical study of aqueous solvation of K comparing ab initio, polarizable, and fixed-charge modelsTroy W Whitfield, Sameer Varma, Edward Harder, et al.
Chemsuschem|May 4, 2018
Molecular Simulation Results on Charged Carbon Nanotube Forest-Based SupercapacitorsAjay Muralidharan, Lawrence R Pratt, Gary G Hoffman, et al.
Annual Review of Physical Chemistry|March 11, 2020
Hydration Mimicry by Membrane Ion ChannelsMangesh I Chaudhari, Juan M Vanegas, L R Pratt, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|January 15, 2021
Partitioning of Seven Different Classes of Antibiotics into LPS Monolayers Supports Three Different Permeation Mechanisms through the Outer Bacterial MembraneHannah Cetuk, Andriy Anishkin, Alison J Scott, et al.
The Journal of Chemical Physics|February 28, 2021
Ab initio and force field molecular dynamics study of bulk organophosphorus and organochlorine liquid structuresChad W Priest, Jeffery A Greathouse, Mark K Kinnan, et al.
Chemical Science|July 14, 2021
Thermodynamics of ion binding and occupancy in potassium channelsZhifeng Jing, Joshua A Rackers, Lawrence R Pratt, et al.
International Journal of Molecular Sciences|August 27, 2021
Quantum Calculations of VX Ammonolysis and Hydrolysis Pathways via Hydrated Lithium NitrideCalen J Leverant, Chad W Priest, Jeffery A Greathouse, et al.
Plos One|September 6, 2024
Metadynamics simulations reveal mechanisms of Na+ and Ca2+ transport in two open states of the channelrhodopsin chimera, C1C2Lindsey A Prignano, Mark J Stevens, Juan M Vanegas, et al.
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