검색결과 : 11건
| No. | Article |
|---|---|
| 1 |
Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field Wang L, Wu YJ, Deng YQ, Kim B, Pierce L, Krilov G, Lupyan D, Robinson S, Dahlgren MK, Greenwood J, Romero DL, Masse C, Knight JL, Steinbrecher T, Beuming T, Damm W, Harder E, Sherman W, Brewer M, Wester R, Murcko M, Frye L, Farid R, Lin T, Mobley DL, Jorgensen WL, Berne BJ, Friesner RA, Abel R Journal of the American Chemical Society, 137(7), 2695, 2015 |
| 2 |
Computer simulations of water flux and salt permeability of the reverse osmosis FT-30 aromatic polyamide membrane Luo Y, Harder E, Faibish RS, Roux B Journal of Membrane Science, 384(1-2), 1, 2011 |
| 3 |
The costs and benefits of large-scale solar photovoltaic power production in Abu Dhabi, United Arab Emirates Harder E, Gibson JM Renewable Energy, 36(2), 789, 2011 |
| 4 |
Molecular Dynamics Study of a Polymeric Reverse Osmosis Membrane Harder E, Walters DE, Bodnar YD, Faibish RS, Roux B Journal of Physical Chemistry B, 113(30), 10177, 2009 |
| 5 |
Many-Body Polarization Effects and the Membrane Dipole Potential Harder E, MacKerell AD, Roux B Journal of the American Chemical Society, 131(8), 2760, 2009 |
| 6 |
Understanding the dielectric properties of liquid amides from a polarizable force field Harder E, Anisimov VM, Whitfield TW, MacKerell AD, Roux B Journal of Physical Chemistry B, 112(11), 3509, 2008 |
| 7 |
A polarizable model of water for molecular dynamics simulations of biomolecules Lamoureux G, Harder E, Vorobyov IV, Roux B, MacKerell AD Chemical Physics Letters, 418(1-3), 245, 2006 |
| 8 |
Hydrogen-bond dynamics in the air-water interface Liu P, Harder E, Berne BJ Journal of Physical Chemistry B, 109(7), 2949, 2005 |
| 9 |
Structure and dynamics of the solvation of bovine pancreatic trypsin inhibitor in explicit water: A comparative study of the effects of solvent and protein polarizability Kim BC, Young T, Harder E, Friesner RA, Berne BJ Journal of Physical Chemistry B, 109(34), 16529, 2005 |
| 10 |
On the calculation of diffusion coefficients in confined fluids and interfaces with an application to the liquid-vapor interface of water Liu P, Harder E, Berne BJ Journal of Physical Chemistry B, 108(21), 6595, 2004 |