| 1 |
Deprotonation of solvated formic acid: Car-Parrinello and metadynamics simulations
Lee JG, Asciutto E, Babin V, Sagui C, Darden T, Roland C
Journal of Physical Chemistry B, 110(5), 2325, 2006 |
| 2 |
Calculation of ionic charging free energies in simulation systems with atomic charges, dipoles, and quadrupoles
Herce DH, Darden T, Sagui C
Journal of Chemical Physics, 119(15), 7621, 2003 |
| 3 |
Multigrid methods for classical molecular dynamics simulations of biomolecules
Sagui C, Darden T
Journal of Chemical Physics, 114(15), 6578, 2001 |
| 4 |
Efficient particle-mesh Ewald based approach to fixed and induced dipolar interactions
Toukmaji A, Sagui C, Board J, Darden T
Journal of Chemical Physics, 113(24), 10913, 2000 |
| 5 |
QM-FE calculations of aliphatic hydrogen abstraction in citrate synthase and in solution: Reproduction of the effect of enzyme catalysis and demonstration that an enolate rather than an enol is formed
Donini O, Darden T, Kollman PA
Journal of the American Chemical Society, 122(49), 12270, 2000 |
| 6 |
Ionic charging free energies: Spherical versus periodic boundary conditions
Darden T, Pearlman D, Pedersen LG
Journal of Chemical Physics, 109(24), 10921, 1998 |
| 7 |
Homology Modeling and Molecular-Dynamics Simulations of the Gla Domains of Human Coagulation-Factor-IX and Its G(12)A Mutant
Li LP, Darden T, Hiskey R, Pedersen L
Journal of Physical Chemistry, 100(7), 2475, 1996 |
| 8 |
A Very Fast Molecular-Dynamics Method to Simulate Biomolecular Systems with Realistic Electrostatic Interactions
Procacci P, Darden T, Marchi M
Journal of Physical Chemistry, 100(24), 10464, 1996 |
| 9 |
A Smooth Particle Mesh Ewald Method
Essmann U, Perera L, Berkowitz ML, Darden T, Lee H, Pedersen LG
Journal of Chemical Physics, 103(19), 8577, 1995 |
| 10 |
Toward the Accurate Modeling of DNA - The Importance of Long-Range Electrostatics
York DM, Yang WT, Lee H, Darden T, Pedersen LG
Journal of the American Chemical Society, 117(17), 5001, 1995 |
