Russell DeVane
Russell DeVane
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Coarse-graining of condensed phase and biomolecular systems
GA Voth
CRC press, 2008
Self-assembly of Janus dendrimers into uniform dendrimersomes and other complex architectures
V Percec, DA Wilson, P Leowanawat, CJ Wilson, AD Hughes, ...
Science 328 (5981), 1009-1014, 2010
Multi-property fitting and parameterization of a coarse grained model for aqueous surfactants
W Shinoda, R DeVane, ML Klein
Molecular Simulation 33 (1-2), 27-36, 2007
Zwitterionic lipid assemblies: molecular dynamics studies of monolayers, bilayers, and vesicles using a new coarse grain force field
W Shinoda, R DeVane, ML Klein
The Journal of Physical Chemistry B 114 (20), 6836-6849, 2010
Coarse-grained molecular modeling of non-ionic surfactant self-assembly
W Shinoda, R DeVane, ML Klein
Soft Matter 4 (12), 2454-2462, 2008
Nanoscale organization in room temperature ionic liquids: a coarse grained molecular dynamics simulation study
BL Bhargava, R Devane, ML Klein, S Balasubramanian
Soft Matter 3 (11), 1395-1400, 2007
Transferable coarse grain nonbonded interaction model for amino acids
R DeVane, W Shinoda, PB Moore, ML Klein
Journal of chemical Theory and Computation 5 (8), 2115-2124, 2009
Molecular dynamics calculations suggest a conduction mechanism for the M2 proton channel from influenza A virus
E Khurana, M Dal Peraro, R DeVane, S Vemparala, WF DeGrado, ...
Proceedings of the National Academy of Sciences 106 (4), 1069-1074, 2009
Computer simulation studies of self-assembling macromolecules
W Shinoda, R DeVane, ML Klein
Current Opinion in Structural Biology 22 (2), 175-186, 2012
Amphiphilic drug-like molecules accumulate in a membrane below the head group region
M Paloncýová, R DeVane, B Murch, K Berka, M Otyepka
The Journal of Physical Chemistry B 118 (4), 1030-1039, 2014
Micellization studied by GPU-accelerated coarse-grained molecular dynamics
BG Levine, DN LeBard, R DeVane, W Shinoda, A Kohlmeyer, ML Klein
Journal of Chemical Theory and Computation 7 (12), 4135-4145, 2011
Benchmarking of force fields for molecule–membrane interactions
M Paloncýová, G Fabre, RH DeVane, P Trouillas, K Berka, M Otyepka
Journal of chemical theory and computation 10 (9), 4143-4151, 2014
Exploring the utility of coarse-grained water models for computational studies of interfacial systems
X He, W Shinoda, R DeVane, ML Klein
Molecular Physics 108 (15), 2007-2020, 2010
Coarse-grained force field for ionic surfactants
W Shinoda, R DeVane, ML Klein
Soft Matter 7 (13), 6178-6186, 2011
Nanoscale carbon particles and the stability of lipid bilayers
A Jusufi, RH DeVane, W Shinoda, ML Klein
Soft Matter 7 (3), 1139-1146, 2011
A time correlation function theory of two-dimensional infrared spectroscopy with applications to liquid water
R DeVane, B Space, A Perry, C Neipert, C Ridley, T Keyes
The Journal of chemical physics 121 (8), 3688-3701, 2004
Coarse-grained potential models for phenyl-based molecules: I. Parametrization using experimental data
R DeVane, ML Klein, C Chiu, SO Nielsen, W Shinoda, PB Moore
The Journal of Physical Chemistry B 114 (19), 6386-6393, 2010
Molecular dynamics simulations of cholesterol-rich membranes using a coarse-grained force field for cyclic alkanes
CM MacDermaid, HK Kashyap, RH DeVane, W Shinoda, JB Klauda, ...
The Journal of chemical physics 143 (24), 12B625_1, 2015
Structural changes in ceramide bilayers rationalize increased permeation through stratum corneum models with shorter acyl tails
M Paloncýová, K Vávrová, Z Sovová, R DeVane, M Otyepka, K Berka
The Journal of Physical Chemistry B 119 (30), 9811-9819, 2015
Premicelles and monomer exchange in aqueous surfactant solutions above and below the critical micelle concentration
DN LeBard, BG Levine, R DeVane, W Shinoda, ML Klein
Chemical Physics Letters 522, 38-42, 2012
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