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The Journal of Physical Chemistry. B|July 27, 2021
Thermodynamics of Hydration from the Perspective of the Molecular Quasichemical Theory of SolutionsDilipkumar N Asthagiri, Michael E Paulaitis, Lawrence R PrattThe Journal of Chemical Physics|December 29, 2010
Communication: Direct observation of a hydrophobic bond in loop closure of a capped (-OCH2CH2-)n oligomer in waterMangesh I Chaudhari, Lawrence R Pratt, Michael E PaulaitisAnnual 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.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.Journal of Chemical Theory and Computation|December 7, 2019
Machine Learning-Guided Approach for Studying Solvation EnvironmentsYasemin Basdogan, Mitchell C Groenenboom, Ethan Henderson, et al.Biophysical Journal|March 11, 2021
Channelrhodopsin C1C2: Photocycle kinetics and interactions near the central gateMonika R VanGordon, Lindsey A Prignano, Robert E Dempski, et al.The Journal of Physical Chemistry. B|February 3, 2023
Development of AMOEBA Polarizable Force Field for Rare-Earth La3+ Interaction with Bioinspired LigandsElizabeth E Wait, Justin Gourary, Chengwen Liu, 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.Pageof 19