E. Laura Coitiño

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Donald TruhlarUniversity of MinnesotaVerified email at umn.edu
Yao-Yuan ChuangAssitant Professor of Applied Chemistry, National University of KaohsiungVerified email at nuk.edu.tw
Jose C. CorchadoUniversidad de Extremadura, University of MinnesotaVerified email at unex.es
Ivan RossiDept. of Medical Sciences, University of TurinVerified email at unito.it
Jordi Villà i Freixa (ORCID:0000-0002-...Universitat de Vic - Universitat Central de Catalunya (grid.440820.a /ROR 006zjws59)Verified email at uvic.cat
Benjamin A EllingsonAbbVieVerified email at abbvie.com
Jenner BonanataLaboratorio de Química Teórica y Computacional, Instituto de Química Biológica, Facultad de Ciencias, Universidad de la República, UruguayVerified email at fcien.edu.uy
Prof. Oscar N. Ventura, FRSCCCBG, Detema, Facultad de Química, Universidad de la RepúblicaVerified email at fq.edu.uy
Jingjing ZhengSenior Scientist (Gaussian, Inc.)Verified email at gaussian.com
Benjamin J. LynchUniversity of MinnesotaVerified email at umn.edu
Antonio Fernandez-RamosProfessor of Physical Chemistry, University of Santiago de CompostelaVerified email at usc.es
Gerardo Ferrer-SuetaAssociate Professor, Fisicoquímica Biológica, Facultad de Ciencias,Universidad de la RepúblicaVerified email at fmed.edu.uy
Santiago SignorelliUniversidad de la RepúblicaVerified email at fagro.edu.uy
Agusti LledosProfessor, Dep. Quimica, Universitat Autonoma de BarcelonaVerified email at uab.cat
Omar BorsaniProfesor de BioquímicaVerified email at fagro.edu.uy
Pablo D. DansDepartment of Biological Sciences (CENUR Litoral Norte - UdelaR) & Institut Pasteur de MontevideoVerified email at pasteur.edu.uy
Milos FilipovicLeibniz Institute for Analytical Sciences, ISAS e.V. DortmundVerified email at isas.de
Mike LangePostdoctoral Scholar, Olzmann lab, University of California, BerkeleyVerified email at berkeley.edu
Gonzalo ScaleseÁrea Química Inorgánica, DEC, Facultad de Química, Universidad de la RepúblicaVerified email at fq.edu.uy
Matias N. MöllerInstituto de Química Biológica, Facultad de Ciencias, Universidad de la RepúblicaVerified email at fcien.edu.uy

E. Laura Coitiño

Prof. de Química Teórica&Computacional, Instituto de Quím. Biológica-Fac.Ciencias, UdelaR

Verified email at fcien.edu.uy

Química y Bioquímica Computacional Fisicoquímica Teórica Bioinformática Estructural


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POLYRATE, version 9.7 JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ... University of Minnesota, Minneapolis, 2007	339	2007
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	298	2015
POLYRATE-version 2008 http://comp. chem. umn. edu/polyrate/, 2008	276*	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	202	2014
Gaussrate, version 2009-A J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitino, BA Ellingson, ... University of Minnesota: Minneapolis, MN, 2010	180	2010
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	167	1998
Polyrate-version 2017-C J Zheng, JL Bao, R Meana-Pañeda, S Zhang, BJ Lynch, JC Corchado, ... University of Minnesota, Minneapolis, MN, 2017	158	2017
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	148	2015
Polyrate-version 8.2 YY Chuang, JC Corchado, PL Fast, J Villa, EL Coitino, WP Hu, YP Liu, ... University of Minnesota, Minneapolis, 1999	131	1999
Polyrate J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ... University of Minnesota, Minneapolis, 2010	120	2010
POLYRATE, version 7.0 R Steckler, YY Chuang, EL Coitino, WP Hu, YP Liu, GC Lynch, ... University of Minnesota, Minneapolis, 1997	111	1997
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	108	2000
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	94	2014
Gaussrate 17 J Zheng, JL Bao, S Zhang, JC Corchado, R Meana-Pañeda, YY Chuang, ... University of Minnesota: Minneapolis, MN, 2017	82	2017
Gaussrate J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitiño, BA Ellingson, ... University of Minnesota, 2010	78	2010
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	78	1998
Gaussrate, version 8.2 JC Corchado, YY Chunag, EL Coitino, DG Truhlar University of Minnesota: Minneapolis, MN, 1999	73	1999
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	69	1995
The Chemical Basis of Thiol Addition to Nitro-Conjugated Linoleic Acid, a Protective Cell Signaling Lipid L Turell, DA Vitturi, EL Coitiño, L Lebrato, MN Möller, C Sagasti, ... Journal of Biological Chemistry 292 (4), 1145–1159, 2017	64	2017
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	61	2017

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