| 1 |
Mechanism of the Glycosidic Bond Cleavage of Mismatched Thymine in Human Thymine DNA Glycosylase Revealed by Classical Molecular Dynamics and Quantum Mechanical/Molecular Mechanical Calculations
Kanaan N, Crehuet R, Imhof P
Journal of Physical Chemistry B, 119(38), 12365, 2015 |
| 2 |
Conformational Compression and Barrier Height Heterogeneity in the N-Acetylglutamate Kinase
Sanchez-Martinez M, Marcos E, Tauler R, Field M, Crehuet R
Journal of Physical Chemistry B, 117(46), 14261, 2013 |
| 3 |
Correlation between Photophysical Parameters and Gold-Gold Distances in Gold(I) (4-Pyridyl)ethynyl Complexes
Rodriguez L, Ferrer M, Crehuet R, Anglada J, Lima JC
Inorganic Chemistry, 51(14), 7636, 2012 |
| 4 |
Neutral gold(I) metallosupramolecular compounds: Synthesis and characterization, photophysical properties, and density functional theory studies
Rodriguez L, Lodeiro C, Lima JC, Crehuet R
Inorganic Chemistry, 47(11), 4952, 2008 |
| 5 |
A transition path sampling study of the reaction catalyzed by the enzyme chorismate mutase
Crehuet R, Field MJ
Journal of Physical Chemistry B, 111(20), 5708, 2007 |
| 6 |
A temperature-dependent nudged-elastic-band algorithm
Crehuet R, Field MJ
Journal of Chemical Physics, 118(21), 9563, 2003 |
| 7 |
Reaction modes of carbonyl oxide, dioxirane, and methylenebis(oxy) with ethylene: A new reaction mechanism
Crehuet R, Anglada JM, Cremer D, Bofill JM
Journal of Physical Chemistry A, 106(15), 3917, 2002 |
| 8 |
The ozone-acetylene reaction: concerted or non-concerted reaction mechanism? A quantum chemical investigation
Cremer D, Kraka E, Crehuet R, Anglada J, Grafenstein J
Chemical Physics Letters, 347(1-3), 268, 2001 |
| 9 |
The ozonolysis of acetylene - A quantum chemical investigation
Cremer D, Crehuet R, Anglada J
Journal of the American Chemical Society, 123(25), 6127, 2001 |
