Progress in computer simulations of liquid crystals MR Wilson International Reviews in Physical Chemistry 24 (3-4), 421-455, 2005 | 179 | 2005 |
Molecular dynamics calculation of elastic constants in Gay–Berne nematic liquid crystals MP Allen, MA Warren, MR Wilson, A Sauron, W Smith The Journal of chemical physics 105 (7), 2850-2858, 1996 | 161 | 1996 |
Molecular order in a chromonic liquid crystal: a molecular simulation study of the anionic azo dye sunset yellow F Chami, MR Wilson Journal of the American Chemical Society 132 (22), 7794-7802, 2010 | 154 | 2010 |
Molecular dynamics simulations of flexible liquid crystal molecules using a Gay-Berne/Lennard-Jones model MR Wilson The Journal of chemical physics 107 (20), 8654-8663, 1997 | 144 | 1997 |
Molecular simulation of liquid crystals: progress towards a better understanding of bulk structure and the prediction of material properties MR Wilson Chemical Society Reviews 36 (12), 1881-1888, 2007 | 135 | 2007 |
Computer simulation of liquid crystals MP Allen, MR Wilson Journal of computer-aided molecular design 3, 335-353, 1989 | 135 | 1989 |
Computer simulations of mesogenic molecules using realistic atom-atom potentials MR Wilson, MP Allen Molecular Crystals and Liquid Crystals 198 (1), 465-477, 1991 | 129 | 1991 |
Computer simulation study of liquid crystal formation in a semi-flexible system of linked hard spheres MR Wilson, MP Allen Molecular Physics 80 (2), 277-295, 1993 | 125 | 1993 |
Atomistic simulations of a thermotropic biaxial liquid crystal J Peláez, MR Wilson Physical review letters 97 (26), 267801, 2006 | 123 | 2006 |
The Uncatalyzed Direct Amide Formation Reaction–Mechanism Studies and the Key Role of Carboxylic Acid H‐Bonding H Charville, DA Jackson, G Hodges, A Whiting, MR Wilson European Journal of Organic Chemistry 2011 (30), 5981-5990, 2011 | 122 | 2011 |
Structure of trans-4-(trans-4-n-pentylcyclohexyl)cyclohexylcarbonitrile (CCH5) in the isotropic and nematic phases: a computer simulation study MR Wilson, MP Allen Liquid Crystals 12 (1), 157-176, 1992 | 109 | 1992 |
A domain decomposition molecular dynamics program for the simulation of flexible molecules of spherically-symmetrical and nonspherical sites. II. Extension to NVT and NPT ensembles JM Ilnytskyi, MR Wilson Computer physics communications 148 (1), 43-58, 2002 | 100 | 2002 |
Molecular orientational and dipolar correlation in the liquid crystal mixture E7: a molecular dynamics simulation study at a fully atomistic level J Peláez, M Wilson Physical Chemistry Chemical Physics 9 (23), 2968-2975, 2007 | 92 | 2007 |
Induced and spontaneous deracemization in bent-core liquid crystal phases and in other phases doped with bent-core molecules DJ Earl, MA Osipov, H Takezoe, Y Takanishi, MR Wilson Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 71 (2 …, 2005 | 86 | 2005 |
Parametrization and validation of a force field for liquid-crystal forming molecules DL Cheung, SJ Clark, MR Wilson Physical Review E 65 (5), 051709, 2002 | 82 | 2002 |
Molecular dynamics simulation of main chain liquid crystalline polymers AV Lyulin, MS Al-Barwani, MP Allen, MR Wilson, I Neelov, NK Allsopp Macromolecules 31 (14), 4626-4634, 1998 | 81 | 1998 |
Modulation of global low-frequency motions underlies allosteric regulation: demonstration in CRP/FNR family transcription factors TL Rodgers, PD Townsend, D Burnell, ML Jones, SA Richards, ... PLoS biology 11 (9), e1001651, 2013 | 80 | 2013 |
Developing a force field for simulation of poly(ethylene oxide) based upon ab initio calculations of 1,2-dimethoxyethane PM Anderson, MR Wilson* Molecular Physics 103 (1), 89-97, 2005 | 79 | 2005 |
Replicated data and domain decomposition molecular dynamics techniques for simulation of anisotropic potentials MR Wilson, MP Allen, MA Warren, A Sauron, W Smith Journal of computational chemistry 18 (4), 478-488, 1997 | 77 | 1997 |
Theory and computer simulation for the cubatic phase of cut spheres PD Duncan, M Dennison, AJ Masters, MR Wilson Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 79 (3 …, 2009 | 75 | 2009 |