Publications by authors named "Russell DeVane"

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SPICA Force Field for Proteins and Peptides.
Shuhei Kawamoto, Huihui Liu, Yusuke Miyazaki, Sangjae Seo, Mayank Dixit, Russell DeVane

J Chem Theory Comput· May 2022

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Coexistence of Lipid Phases Stabilizes Interstitial Water in the Outer Layer of Mammalian Skin.
Christopher M MacDermaid, Kyle Wm Hall, Russell H DeVane, Michael L Klein, Giacomo Fiorin

Biophys J· April 2020

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Molecular dynamics simulations of cholesterol-rich membranes using a coarse-grained force field for cyclic alkanes.
Christopher M MacDermaid, Hemant K Kashyap, Russell H DeVane, Wataru Shinoda, Jeffery B Klauda

J Chem Phys· December 2015

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Structural Changes in Ceramide Bilayers Rationalize Increased Permeation through Stratum Corneum Models with Shorter Acyl Tails.
Markéta Paloncýová, Kateřina Vávrová, Žofie Sovová, Russell DeVane, Michal Otyepka

J Phys Chem B· July 2015

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Dehydration of multilamellar fatty acid membranes: towards a computational model of the stratum corneum.
Christopher M MacDermaid, Russell H DeVane, Michael L Klein, Giacomo Fiorin

J Chem Phys· December 2014

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Rationalization of reduced penetration of drugs through ceramide gel phase membrane.
Markéta Paloncýová, Russell H DeVane, Bruce P Murch, Karel Berka, Michal Otyepka

Langmuir· November 2014

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Benchmarking of Force Fields for Molecule-Membrane Interactions.
Markéta Paloncýová, Gabin Fabre, Russell H DeVane, Patrick Trouillas, Karel Berka

J Chem Theory Comput· September 2014

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Amphiphilic drug-like molecules accumulate in a membrane below the head group region.
Markéta Paloncýová, Russell DeVane, Bruce Murch, Karel Berka, Michal Otyepka

J Phys Chem B· January 2014

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Computer simulation studies of self-assembling macromolecules.
Wataru Shinoda, Russell DeVane, Michael L Klein

Curr Opin Struct Biol· April 2012

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Micellization Studied by GPU-Accelerated Coarse-Grained Molecular Dynamics.
Benjamin G Levine, David N LeBard, Russell DeVane, Wataru Shinoda, Axel Kohlmeyer

J Chem Theory Comput· December 2011

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Computational study of drug binding to the membrane-bound tetrameric M2 peptide bundle from influenza A virus.
Ekta Khurana, Russell H Devane, Matteo Dal Peraro, Michael L Klein

Biochim Biophys Acta· February 2011

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Parametrization and application of a coarse grained force field for benzene/fullerene interactions with lipids.
Russell DeVane, Arben Jusufi, Wataru Shinoda, Chi-cheng Chiu, Steven O Nielsen

J Phys Chem B· December 2010

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Coarse-grained potential models for phenyl-based molecules: I. Parametrization using experimental data.
Russell DeVane, Michael L Klein, Chi-cheng Chiu, Steven O Nielsen, Wataru Shinoda

J Phys Chem B· May 2010

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Coarse-grained potential models for phenyl-based molecules: II. Application to fullerenes.
Chi-cheng Chiu, Russell DeVane, Michael L Klein, Wataru Shinoda, Preston B Moore

J Phys Chem B· May 2010

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Zwitterionic lipid assemblies: molecular dynamics studies of monolayers, bilayers, and vesicles using a new coarse grain force field.
Wataru Shinoda, Russell DeVane, Michael L Klein

J Phys Chem B· May 2010

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Self-assembly of Janus dendrimers into uniform dendrimersomes and other complex architectures.
Virgil Percec, Daniela A Wilson, Pawaret Leowanawat, Christopher J Wilson, Andrew D Hughes, Russell H DeVane

Science· May 2010

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A Transferable Coarse Grain Non-bonded Interaction Model For Amino Acids.
Russell Devane, Wataru Shinoda, Preston B Moore, Michael L Klein

J Chem Theory Comput· August 2009

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Molecular dynamics calculations suggest a conduction mechanism for the M2 proton channel from influenza A virus.
Ekta Khurana, Matteo Dal Peraro, Russell DeVane, Satyavani Vemparala, William F DeGrado

Proc Natl Acad Sci U S A· January 2009

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Probing peptide nanotube self-assembly at a liquid-liquid interface with coarse-grained molecular dynamics.
Ekta Khurana, Russell H DeVane, Axel Kohlmeyer, Michael L Klein

Nano Lett· November 2008

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Nanoscale organization in room temperature ionic liquids: a coarse grained molecular dynamics simulation study.
B Lokegowda Bhargava, Russell Devane, Michael L Klein, Sundaram Balasubramanian

Soft Matter· October 2007

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Time correlation function and finite field approaches to the calculation of the fifth order Raman response in liquid xenon.
Russell DeVane, Brian Space, Thomas L C Jansen, T Keyes

J Chem Phys· December 2006

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Theoretical investigation of the temperature dependence of the fifth-order Raman response function of fluid and liquid xenon.
Russell DeVane, Christina Kasprzyk, Brian Space, T Keyes

J Phys Chem B· March 2006

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Applications of a time correlation function theory for the fifth-order Raman response function I: atomic liquids.
Russell DeVane, Christina Ridley, Brian Space, T Keyes

J Chem Phys· November 2005

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Tractable theory of nonlinear response and multidimensional nonlinear spectroscopy.
Russell DeVane, Christina Ridley, Brian Space, T Keyes

Phys Rev E Stat Nonlin Soft Matter Phys· November 2004

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A time correlation function theory of two-dimensional infrared spectroscopy with applications to liquid water.
Russell DeVane, Brian Space, Angela Perry, Christine Neipert, Christina Ridley

J Chem Phys· August 2004

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