| 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 | 782 | 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 | 518 | 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 | 296 | 2010 |
| Coarse-grained molecular modeling of non-ionic surfactant self-assembly W Shinoda, R DeVane, ML Klein Soft Matter 4 (12), 2454-2462, 2008 | 279 | 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 | 245 | 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 | 143 | 2009 |
| Molecular dynamics calculations suggest a conduction mechanism for the M2 proton channel from influenza A virus E Khurana, MD Peraro, R DeVane, S Vemparala, WF DeGrado, ML Klein Proceedings of the National Academy of Sciences 106 (4), 1069-1074, 2009 | 141 | 2009 |
| Computer simulation studies of self-assembling macromolecules W Shinoda, R DeVane, ML Klein Current Opinion in Structural Biology 22 (2), 175-186, 2012 | 130 | 2012 |
| Amphiphilic drug-like molecules accumulate in a membrane below the head group region M Paloncyova, R DeVane, B Murch, K Berka, M Otyepka The Journal of Physical Chemistry B 118 (4), 1030-1039, 2014 | 122 | 2014 |
| 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 | 89 | 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 | 85 | 2011 |
| Coarse-grained force field for ionic surfactants W Shinoda, R DeVane, ML Klein Soft Matter 7 (13), 6178-6186, 2011 | 78 | 2011 |
| 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 | 66 | 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), 2015 | 65 | 2015 |
| 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 | 65 | 2010 |
| 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 | 59 | 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 | 59 | 2012 |
| Nanoscale carbon particles and the stability of lipid bilayers A Jusufi, RH DeVane, W Shinoda, ML Klein Soft Matter 7 (3), 1139-1146, 2011 | 56 | 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 | 54 | 2004 |
| Coarse-grained potential models for phenyl-based molecules: II. Application to fullerenes C Chiu, R DeVane, ML Klein, W Shinoda, PB Moore, SO Nielsen The Journal of Physical Chemistry B 114 (19), 6394-6400, 2010 | 49 | 2010 |
