검색결과 : 17건
| No. | Article |
|---|---|
| 1 |
The Competing Mechanisms of Phosphate Monoester Dianion Hydrolysis Duarte F, Barrozo A, Aqvist J, Williams NH, Kamerlin SCL Journal of the American Chemical Society, 138(33), 10664, 2016 |
| 2 |
Resolving Apparent Conflicts between Theoretical and Experimental Models of Phosphate Monoester Hydrolysis Duarte F, Aqvist J, Wiliams NH, Kamerlin SCL Journal of the American Chemical Society, 137(3), 1081, 2015 |
| 3 |
Force Field Independent Metal Parameters Using a Nonbonded Dummy Model Duarte F, Bauer P, Barrozo A, Amrein BA, Purg M, Aqvist J, Kamerlin SCL Journal of Physical Chemistry B, 118(16), 4351, 2014 |
| 4 |
Comment on "The Mechanism for Activation of GTP Hydrolysis on the Ribosome" Liljas A, Ehrenberg M, Aqvist J Science, 333(6038), 37, 2011 |
| 5 |
Absolute Hydration Entropies of Alkali Metal Ions from Molecular Dynamics Simulations Carlsson J, Aqvist J Journal of Physical Chemistry B, 113(30), 10255, 2009 |
| 6 |
Protein Autoproteolysis: Conformational Strain Linked to the Rate of Peptide Cleavage by the pH Dependence of the N -> O Acyl Shift Reaction Johansson DGA, Wallin G, Sandberg A, Macao B, Aqvist J, Hard T Journal of the American Chemical Society, 131(27), 9475, 2009 |
| 7 |
Continuum solvation models in the linear interaction energy method Carlsson J, Ander M, Nervall M, Aqvist J Journal of Physical Chemistry B, 110(24), 12034, 2006 |
| 8 |
Absolute and relative entropies from computer simulation with applications to ligand binding Carlsson J, Aqvist J Journal of Physical Chemistry B, 109(13), 6448, 2005 |
| 9 |
Molecular dynamics simulations of water and biomolecules wit a Monte Carlo constant pressure algorithm Aqvist J, Wennerstrom P, Nervall M, Bjelic S, Brandsdal BO Chemical Physics Letters, 384(4-6), 288, 2004 |
| 10 |
Computational study of the influence of solvent on O-16/O-18 equilibrium isotope effects in phosphate deprotonation reactions Kolmodin K, Luzhkov VB, Aqvist J Journal of the American Chemical Society, 124(34), 10130, 2002 |