| 1 |
Comprehensive Experimental and Computational Analysis of Binding Energy Hot Spots at the NF-kappa B Essential Modulator/IKK beta Protein-Protein Interface
Golden MS, Cote SM, Sayeg M, Zerbe BS, Villar EA, Beglov D, Sazinsky SL, Georgiadis RM, Vajda S, Kozakov D, Whitty A
Journal of the American Chemical Society, 135(16), 6242, 2013 |
| 2 |
Solvation and polarization of the N-methyl amine molecule in aqueous solution: A combined study of quantum mechanics and integral equation theory in three dimensions (vol 107, pg 13463, 2003)
Du Q, Beglov D, Wei D, Roux B
Journal of Physical Chemistry B, 111(48), 13658, 2007 |
| 3 |
Solvation free energy of polar and nonpolar molecules in water: An extended interaction site integral equation theory in three dimensions
Du QH, Beglov D, Roux B
Journal of Physical Chemistry B, 104(4), 796, 2000 |
| 4 |
Atomic Radii for Continuum Electrostatics Calculations Based on Molecular-Dynamics Free-Energy Simulations
Nina M, Beglov D, Roux B
Journal of Physical Chemistry B, 101(26), 5239, 1997 |
| 5 |
An Integral-Equation to Describe the Solvation of Polar-Molecules in Liquid Water
Beglov D, Roux B
Journal of Physical Chemistry B, 101(39), 7821, 1997 |
| 6 |
Solvation of Complex-Molecules in a Polar Liquid - An Integral-Equation Theory
Beglov D, Roux B
Journal of Chemical Physics, 104(21), 8678, 1996 |
| 7 |
Numerical-Solution of the Hypernetted-Chain Equation for a Solute of Arbitrary Geometry in 3 Dimensions
Beglov D, Roux B
Journal of Chemical Physics, 103(1), 360, 1995 |
| 8 |
Finite Representation of an Infinite Bulk System - Solvent Boundary Potential for Computer-Simulations
Beglov D, Roux B
Journal of Chemical Physics, 100(12), 9050, 1994 |
