Прати
E. Laura Coitiño
E. Laura Coitiño
Prof. de Química Teórica&Computacional, Instituto de Quím. Biológica-Fac.Ciencias, UdelaR
Верификована је имејл адреса на fcien.edu.uy
Наслов
Навело
Навело
Година
POLYRATE, version 9.7
JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota, Minneapolis, 2007
3462007
Reaction of hydrogen sulfide with disulfide and sulfenic acid to form the strongly nucleophilic persulfide
Cuevasanta, Ernesto, M Lange, J Bonanata, EL Coitiño, G FerrerSueta, ...
Journal of Biological Chemistry, 2015
3152015
POLYRATE-version 2008
http://comp. chem. umn. edu/polyrate/, 2008
280*2008
Molecular Mechanisms for the Reaction Between OH Radicals and Proline: Insights on the Role as Reactive Oxygen Species Scavenger in Plant Stress
S Signorelli, EL Coitiño, O Borsani, J Monza
The Journal of Physical Chemistry B 118 (1), 37-47, 2014
2082014
Gaussrate, version 2009-A
J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitino, BA Ellingson, ...
University of Minnesota: Minneapolis, MN, 2010
1792010
Polyrate-version 2017-C
J Zheng, JL Bao, R Meana-Pañeda, S Zhang, BJ Lynch, JC Corchado, ...
University of Minnesota, Minneapolis, MN, 2017
1762017
Interpolated variational transition-state theory by mapping
JC Corchado, EL Coitino, YY Chuang, PL Fast, DG Truhlar
The Journal of Physical Chemistry A 102 (14), 2424-2438, 1998
1671998
Connecting proline and γ-aminobutyric acid in stressed plants through non-enzymatic reactions
S Signorelli, PD Dans, EL Coitiño, O Borsani, J Monza
PLoS One 10 (3), e0115349, 2015
1612015
Polyrate-version 8.2
YY Chuang, JC Corchado, PL Fast, J Villa, EL Coitino, WP Hu, YP Liu, ...
University of Minnesota, Minneapolis, 1999
1321999
Polyrate
J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ...
University of Minnesota, Minneapolis, 2010
1222010
POLYRATE, version 7.0
R Steckler, YY Chuang, EL Coitino, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota, Minneapolis, 1997
1131997
How should we calculate transition state geometries for radical reactions? The effect of spin contamination on the prediction of geometries for open-shell saddle points
YY Chuang, EL Coitiño, DG Truhlar
The Journal of Physical Chemistry A 104 (3), 446-450, 2000
1072000
Gaussrate 17
J Zheng, JL Bao, S Zhang, JC Corchado, R Meana-Pañeda, YY Chuang, ...
University of Minnesota: Minneapolis, MN, 2017
1052017
Deconstructing the catalytic efficiency of peroxiredoxin-5 peroxidatic cysteine
S Portillo-Ledesma, F Sardi, B Manta, MV Tourn, A Clippe, B Knoops, ...
Biochemistry 53 (38), 6113-6125, 2014
872014
Gaussrate
J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitiño, BA Ellingson, ...
University of Minnesota, 2010
782010
Dual-Level Direct Dynamics Calculations of Deuterium and Carbon-13 Kinetic Isotope Effects for the Reaction Cl + CH4
O Roberto-Neto, EL Coitiño, DG Truhlar
The Journal of Physical Chemistry A 102 (24), 4568-4578, 1998
771998
Gaussrate, version 8.2
JC Corchado, YY Chunag, EL Coitino, DG Truhlar
University of Minnesota: Minneapolis, MN, 1999
721999
On the evaluation of the solvent polarization apparent charges in the polarizable continuum model: a new formulation
EL Coitiño, J Tomasi, R Cammi
Journal of Computational Chemistry 16 (1), 20-30, 1995
701995
The thiol of human serum albumin: acidity, microenvironment and mechanistic insights on its oxidation to sulfenic acid
J Bonanata, L Turell, L Antmann, B ... Álvarez, EL Coitiño
Free Radical Biol. Med., 2017
662017
Polyrate 2010-a
J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ...
University of Minnesota, Minneapolis, MN, 2010
612010
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Чланци 1–20