| 1 |
Chemically Specific Multiscale Modeling of Clay-Polymer Nanocomposites Reveals Intercalation Dynamics, Tactoid Self-Assembly and Emergent Materials Properties
Suter JL, Groen D, Coveney PV
Advanced Materials, 27(6), 966, 2015 |
| 2 |
Structure, Dynamics, and Function of the Hammerhead Ribozyme in Bulk Water and at a Clay Mineral Surface from Replica Exchange Molecular Dynamics
Swadling JB, Wright DW, Suter JL, Coveney PV
Langmuir, 31(8), 2493, 2015 |
| 3 |
Assembling Ellipsoidal Particles at Fluid Interfaces Using Switchable Dipolar Capillary Interactions
Davies GB, Kruger T, Coveney PV, Harting J, Bresme F
Advanced Materials, 26(39), 6715, 2014 |
| 4 |
Loop Interactions and Dynamics Tune the Enzymatic Activity of the Human Histone Deacetylase 8
Kunze MBA, Wright DW, Werbeck ND, Kirkpatrick J, Coveney PV, Hansen DF
Journal of the American Chemical Society, 135(47), 17862, 2013 |
| 5 |
Influence of Surface Chemistry and Charge on Mineral-RNA Interactions
Swadling JB, Suter JL, Greenwell HC, Coveney PV
Langmuir, 29(5), 1573, 2013 |
| 6 |
Thumbs Down for HIV: Domain Level Rearrangements Do Occur in the NNRTI-Bound HIV-1 Reverse Transcriptase
Wright DW, Sadiq SK, De Fabritiis G, Coveney PV
Journal of the American Chemical Society, 134(31), 12885, 2012 |
| 7 |
Reaction Kinetics of Catalyzed Competitive Heteropolymer Cleavage
Sadiq SK, Konnyu B, Muller V, Coveney PV
Journal of Physical Chemistry B, 115(37), 11017, 2011 |
| 8 |
Clay Minerals Mediate Folding and Regioselective Interactions of RNA: A Large-Scale Atomistic Simulation Study
Swadling JB, Coveney PV, Greenwell HC
Journal of the American Chemical Society, 132(39), 13750, 2010 |
| 9 |
Self-assembly of ternary cubic, hexagonal, and lamellar mesophases using the lattice-Boltzmann kinetic method
Saksena RS, Coveney PV
Journal of Physical Chemistry B, 112(10), 2950, 2008 |
| 10 |
Rapid and accurate prediction of binding free energies for saquinavir-bound HIV-1 proteases
Stoica I, Sadiq SK, Coveney PV
Journal of the American Chemical Society, 130(8), 2639, 2008 |
