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 RossiBiodec SrlVerified email at biodec.com
Jordi Villà i Freixa (ORCID:0000-0002-...Universitat de Vic - Universitat Central de Catalunya (grid.440820.a /ROR 006zjws59)Verified email at uvic.cat
Bruce GarrettPacific Northwest National LaboratoryVerified email at pnnl.gov
Benjamin A EllingsonAbbVieVerified email at abbvie.com
Oscar N. VenturaCCBG, Detema, Facultad de Química, Universidad de la RepúblicaVerified email at fq.edu.uy
Antonio Fernandez-RamosAssociate Professor, University of Santiago de CompostelaVerified email at usc.es
Jingjing ZhengSenior Scientist (Gaussian, Inc.)Verified email at gaussian.com
Benjamin J. LynchUniversity of MinnesotaVerified email at umn.edu
Jenner BonanataLaboratorio de Química Teórica y Computacional, Instituto de Química Biológica, Facultad de Ciencias, Universidad de la República, UruguayVerified email at fcien.edu.uy
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
Pablo D. DansDepartment of Biological Sciences (CENUR North Riverside) & Institut Pasteur de MontevideoVerified email at pasteur.edu.uy
Omar BorsaniProfesor de BioquímicaVerified email at fagro.edu.uy
Matias N. MöllerInstituto de Química Biológica, Facultad de Ciencias, Universidad de la RepúblicaVerified email at fcien.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

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	295	2007
POLYRATE-version 2008 http://comp. chem. umn. edu/polyrate/, 2008	255*	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	192	2015
Gaussrate, version 2009-A J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitino, BA Ellingson, ... University of Minnesota: Minneapolis, MN, 2010	170	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	160	1998
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	140	2014
Polyrate-version 8.2 YY Chuang, JC Corchado, PL Fast, J Villa, EL Coitino, WP Hu, YP Liu, ... University of Minnesota: Minneapolis, MN, 1999	130	1999
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	114	2015
POLYRATE, version 7.0 R Steckler, YY Chuang, EL Coitino, WP Hu, YP Liu, GC Lynch, ... University of Minnesota, Minneapolis, 1997	111	1997
Polyrate J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ... University of Minnesota, 2010	109	2010
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	101	2000
Gaussrate, version 8.2 JC Corchado, YY Chunag, EL Coitino, DG Truhlar University of Minnesota: Minneapolis, MN, 1999	87	1999
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	75	1998
Gaussrate J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitiño, BA Ellingson, ... University of Minnesota, 2010	74	2010
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	69	2014
Polyrate, version 2017-C J Zheng, JL Bao, R Meana-Pañeda, S Zhang, BJ Lynch, JC Corchado, ... University of Minnesota, Minneapolis, MN, 2017	68	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	64	1995
Polyrate 2010-a J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ... University of Minnesota, Minneapolis, MN, 2010	57	2010
Analysis of the gas‐phase addition of water to formaldehyde: A semiempirical and ab initio study of bifunctional catalysis by H2O ON Ventura, EL Coitiño, A Lledós, J Bertran Journal of computational chemistry 13 (9), 1037-1046, 1992	52	1992
AM1 study of hydrogen bonded complexes of water ON Ventura, EL Coitiño, A Lledós, J Bertrán Journal of Molecular Structure: THEOCHEM 187, 55-68, 1989	52	1989

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