Victor Guallar
Cited by
Cited by
Ab initio quantum chemical and mixed quantum mechanics/molecular mechanics (QM/MM) methods for studying enzymatic catalysis
RA Friesner, V Guallar
Annu. Rev. Phys. Chem. 56, 389-427, 2005
Importance of accurate charges in molecular docking: quantum mechanical/molecular mechanical (QM/MM) approach
AE Cho, V Guallar, BJ Berne, R Friesner
Journal of computational chemistry 26 (9), 915-931, 2005
PELE: protein energy landscape exploration. A novel Monte Carlo based technique
KW Borrelli, A Vitalis, R Alcantara, V Guallar
Journal of chemical theory and computation 1 (6), 1304-1311, 2005
Peripheral heme substituents control the hydrogen-atom abstraction chemistry in cytochromes P450
V Guallar, MH Baik, SJ Lippard, RA Friesner
Proceedings of the National Academy of Sciences 100 (12), 6998-7002, 2003
Semiclassical molecular dynamics simulations of excited state double-proton transfer in 7-azaindole dimers
V Guallar, VS Batista, WH Miller
The Journal of chemical physics 110 (20), 9922-9936, 1999
Oxidoreductases on their way to industrial biotransformations
AT Martínez, FJ Ruiz-Dueñas, S Camarero, A Serrano, D Linde, H Lund, ...
Biotechnology advances 35 (6), 815-831, 2017
Cytochrome P450CAM enzymatic catalysis cycle: a quantum mechanics/molecular mechanics study
V Guallar, RA Friesner
Journal of the American Chemical Society 126 (27), 8501-8508, 2004
The Effect of Heme Environment on the Hydrogen Abstraction Reaction of Camphor in P450cam Catalysis:  A QM/MM Study
A Altun, V Guallar, RA Friesner, S Shaik, W Thiel
Journal of the American Chemical Society 128 (12), 3924-3925, 2006
Raman study of mechanically induced oxygenation state transition of red blood cells using optical tweezers
S Rao, Š Bálint, B Cossins, V Guallar, D Petrov
Biophysical journal 96 (1), 209-216, 2009
DNA mutations induced by proton and charge transfer in the low-lying excited singlet electronic states of the DNA base pairs: A theoretical insight
V Guallar, A Douhal, M Moreno, JM Lluch
The Journal of Physical Chemistry A 103 (31), 6251-6256, 1999
Theoretical study of molecular dynamics in model base pairs
A Douhal, V Guallar, M Moreno, JM Lluch
Chemical physics letters 256 (4-5), 370-376, 1996
H-Atom Transfer and Rotational Processes in the Ground and First Singlet Excited Electronic States of 2-(2 ¡-Hydroxyphenyl) oxazole Derivatives: Experimental and Theoretical …
V Guallar, M Moreno, JM Lluch, F Amat-Guerri, A Douhal
The Journal of Physical Chemistry 100 (51), 19789-19794, 1996
Dynamics of alkane hydroxylation at the non-heme diiron center in methane monooxygenase
V Guallar, BF Gherman, WH Miller, SJ Lippard, RA Friesner
Journal of the American Chemical Society 124 (13), 3377-3384, 2002
Computational modeling of the catalytic reaction in triosephosphate isomerase
V Guallar, M Jacobson, A McDermott, RA Friesner
Journal of molecular biology 337 (1), 227-239, 2004
The unravelling of the complex pattern of tyrosinase inhibition
B Deri, M Kanteev, M Goldfeder, D Lecina, V Guallar, N Adir, A Fishman
Scientific reports 6 (1), 1-10, 2016
PELE web server: atomistic study of biomolecular systems at your fingertips
A Madadkar-Sobhani, V Guallar
Nucleic acids research 41 (W1), W322-W328, 2013
Semiclassical molecular dynamics simulations of intramolecular proton transfer in photoexcited
V Guallar, VS Batista, WH Miller
The Journal of Chemical Physics 113 (21), 9510-9522, 2000
Ligand binding mechanism in steroid receptors: from conserved plasticity to differential evolutionary constraints
K Edman, A Hosseini, MK Bjursell, A Aagaard, L Wissler, A Gunnarsson, ...
Structure 23 (12), 2280-2290, 2015
Identification of dual mTORC1 and mTORC2 inhibitors in melanoma cells: prodigiosin vs. obatoclax
M Espona-Fiedler, V Soto-Cerrato, A Hosseini, JM Lizcano, V Guallar, ...
Biochemical pharmacology 83 (4), 489-496, 2012
Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study
D Linde, R Pogni, M Canellas, F Lucas, V Guallar, MC Baratto, A Sinicropi, ...
Biochemical Journal 466 (2), 253-262, 2015
The system can't perform the operation now. Try again later.
Articles 1–20