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
Prof. Oscar N. Ventura, FRSCCCBG, Detema, Facultad de Química, Universidad de la RepúblicaVerified email at fq.edu.uy
Jenner BonanataLaboratorio de Química Teórica y Computacional, Instituto de Química Biológica, Facultad de Ciencias, Universidad de la República, UruguayVerified email at fcien.edu.uy
Jingjing ZhengSenior Scientist (Gaussian, Inc.)Verified email at gaussian.com
Antonio Fernandez-RamosProfessor of Physical Chemistry, University of Santiago de CompostelaVerified email at usc.es
Benjamin J. LynchUniversity of MinnesotaVerified email at umn.edu
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
Matias N. MöllerInstituto de Química Biológica, Facultad de Ciencias, Universidad de la RepúblicaVerified email at fcien.edu.uy
Francisco Jose Schopfer MBA PhDAssoc. Professor - Dept. Pharmacology and Chemical Biology - Univ. of PittsburghVerified email at pitt.edu

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	306	2007
POLYRATE-version 2008 http://comp. chem. umn. edu/polyrate/, 2008	285*	2008
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	280	2015
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	189	2014
Gaussrate, version 2009-A J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitino, BA Ellingson, ... University of Minnesota: Minneapolis, MN, 2010	178	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	166	1998
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	141	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-version 2017-C J Zheng, JL Bao, R Meana-Pañeda, S Zhang, BJ Lynch, JC Corchado, ... University of Minnesota, Minneapolis, MN, 2017	129	2017
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 33, 1996	111	1996
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	107	2000
Gaussrate, version 8.2 JC Corchado, YY Chunag, EL Coitino, DG Truhlar University of Minnesota: Minneapolis, MN, 1999	99	1999
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	90	2014
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 J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitiño, BA Ellingson, ... University of Minnesota, 2010	77	2010
Gaussrate 17 J Zheng, JL Bao, S Zhang, JC Corchado, R Meana-Pañeda, YY Chuang, ... University of Minnesota, Minneapolis, MN, 2017	70	2017
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	67	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	61	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	60	2017

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