검색결과 : 21건
| No. | Article |
|---|---|
| 1 |
Advanced Potential Energy Surfaces for Molecular Simulation Albaugh A, Boateng HA, Bradshaw RT, Demerdash ON, Dziedzic J, Mao YZ, Margul DT, Swails J, Zeng Q, Case DA, Eastman P, Wang LP, Essex JW, Head-Gordon M, Pande VS, Ponder JW, Shao YH, Skylaris CK, Todorov IT, Tuckerman ME, Head-Gordon T Journal of Physical Chemistry B, 120(37), 9811, 2016 |
| 2 |
Water Sites, Networks, And Free Energies with Grand Canonical Monte Carlo Ross GA, Bodnarchuk MS, Essex JW Journal of the American Chemical Society, 137(47), 14930, 2015 |
| 3 |
A Simple QM/MM Approach for Capturing Polarization Effects in Protein-Ligand Binding Free Energy Calculations Beierlein FR, Michel J, Essex JW Journal of Physical Chemistry B, 115(17), 4911, 2011 |
| 4 |
Assessment of Nonequilibrium Free Energy Methods Cossins BP, Foucher S, Edge CM, Essex JW Journal of Physical Chemistry B, 113(16), 5508, 2009 |
| 5 |
Permeability of Small Molecules through a Lipid Bilayer: A Multiscale Simulation Study Orsi M, Sanderson WE, Essex JW Journal of Physical Chemistry B, 113(35), 12019, 2009 |
| 6 |
Prediction of partition coefficients by multiscale hybrid atomic-level/coarse-grain simulations Michel J, Orsi M, Essex JW Journal of Physical Chemistry B, 112(3), 657, 2008 |
| 7 |
A quantitative coarse-grain model for lipid bilayers Orsi M, Haubertin DY, Sanderson WE, Essex JW Journal of Physical Chemistry B, 112(3), 802, 2008 |
| 8 |
Protein-Ligand Binding Affinity by Nonequilibrium Free Energy Methods Cossins BP, Foucher S, Edge CA, Essex JW Journal of Physical Chemistry B, 112(47), 14985, 2008 |
| 9 |
Classification of water molecules in protein binding sites Barillari C, Taylor J, Viner R, Essex JW Journal of the American Chemical Society, 129(9), 2577, 2007 |
| 10 |
Permeation of small molecules through a lipid bilayer: A computer simulation study Bemporad D, Essex JW, Luttmann C Journal of Physical Chemistry B, 108(15), 4875, 2004 |