Fabiola E Medina, Ph. D.

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Pedro A. FernandesProfessor of Chemistry and Biochemistry, University of Porto, PortugalVerified email at fc.up.pt
Maria João RamosFull Professor, Universidade do Porto, PortugalVerified email at fc.up.pt
Rui P P NevesPhD Researcher, LAQV@REQUIMTE, Faculdade de Ciências Universidade do PortoVerified email at fc.up.pt
Gonzalo JañaAcademicoVerified email at unab.cl
Mario PrejanòUniversità della CalabriaVerified email at unical.it
Nino RussoUniversità della CalabriaVerified email at unical.it
Tiziana Marino, Professore ordinario,...Dipartimento di Chimica e Tecnologie Chimiche, Università della CalabriaVerified email at unical.it
Pedro PaivaPostdoctoral Researcher at Faculdade de Ciências, Universidade do PortoVerified email at fc.up.pt
João Pedro Marques SousaLAQV@REQUIMTEVerified email at fc.up.pt
Dr. Sergio A AguilaTitular Researcher, CNyN-UNAMVerified email at ens.cnyn.unam.mx
Rafael Vazquez-DuhaltUniversidad Nacional Autonoma de MexicoVerified email at cnyn.unam.mx
Riccardo BasosiProfessore Ordinario Senior di Chimica Fisica, Università di Siena, R^2ES Lab, CSGI, CNR-ICCOM, ISCVerified email at unisi.it
MARIA CAMILLA BARATTOVerified email at unisi.it
Fernanda MendozaUniversidad Andres BelloVerified email at unab.cl
Veronica A. JimenezUniversidad Andres BelloVerified email at unab.cl
Leslie Sánchez LeónUniversidad Andres BelloVerified email at uandresbello.edu
Camilo Febres-MolinaPhD. Molecular Physical Chemistry, UNAB - ChileVerified email at uandresbello.edu
Maximiliano FigueroaUniversidad de ConcepciónVerified email at udec.cl
Estefania Tarifeño-SaldiviaUniversity of ConcepciónVerified email at udec.cl

Fabiola E Medina, Ph. D.

Universidad del Bío-Bío, Chile

Verified email at ubiobio.cl - Homepage

QM/MM Density Functional Theory Enzyme Mechanism Enzymatic Catalysis


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Prediction model based on decision tree analysis for laccase mediators F Medina, S Aguila, MC Baratto, A Martorana, R Basosi, JB Alderete, ... Enzyme and microbial technology 52 (1), 68-76, 2013	41	2013
Animal fatty acid synthase: a chemical nanofactory P Paiva, FE Medina, M Viegas, P Ferreira, RPP Neves, JPM Sousa, ... Chemical Reviews 121 (15), 9502-9553, 2021	37	2021
QM/MM study of the reaction mechanism of the dehydratase domain from mammalian fatty acid synthase FE Medina, RPP Neves, MJ Ramos, PA Fernandes ACS Catalysis 8 (11), 10267-10278, 2018	35	2018
A QM/MM study of the reaction mechanism of human β-ketoacyl reductase FE Medina, RPP Neves, MJ Ramos, PA Fernandes Physical Chemistry Chemical Physics 19 (1), 347-355, 2017	23	2017
How the destabilization of a reaction intermediate affects enzymatic efficiency: the case of human Transketolase M Prejanò, FE Medina, MJ Ramos, N Russo, PA Fernandes, T Marino ACS catalysis 10 (4), 2872-2881, 2020	17	2020
The Catalytic Mechanism of Human Transketolase M Prejanò, FE Medina, PA Fernandes, N Russo, MJ Ramos, T Marino ChemPhysChem 20 (21), 2881-2886, 2019	17	2019
QM/MM study of a VIM-1 metallo-β-lactamase enzyme: The catalytic reaction mechanism FE Medina, GA Jaña ACS Catalysis 12 (1), 36-47, 2021	10	2021
Complexities of the Reaction Mechanisms of CC Double Bond Reduction in Mammalian Fatty Acid Synthase Studied with Quantum Mechanics/Molecular Mechanics Calculations FE Medina, MJ Ramos, PA Fernandes ACS Catalysis 9, 11404-11412, 2019	9	2019
Catalytic role of Gln202 in the carboligation reaction mechanism of yeast AHAS: a QM/MM study F Mendoza, FE Medina, VA Jiménez, GA Jaña Journal of Chemical Information and Modeling 60 (2), 915-922, 2019	7	2019
How important is the synclinal conformation of sulfonylureas to explain the inhibition of AHAS: a theoretical study GA Jaña, EJ Delgado, FE Medina Journal of Chemical Information and Modeling 54 (3), 926-932, 2014	7	2014
Water Molecules Allow the Intramolecular Activation of the Thiamine Di-Phosphate Cofactor in Human Transketolase: Mechanistic Insights into a Famous Proposal FE Medina, M Prejano ACS Catalysis 11 (7), 4136-4145, 2021	5	2021
Engineering of PKS megaenzymes—a promising way to biosynthesize high-value active molecules RPP Neves, P Ferreira, FE Medina, P Paiva, JPM Sousa, MF Viegas, ... Topics in Catalysis, 1-19, 2021	4	2021
Elucidation of the Reaction Mechanism of Cavia porcellus l-Asparaginase: A QM/MM Study L Sánchez, FE Medina, F Mendoza, C Febres-Molina, GA Jaña Journal of Chemical Information and Modeling 63 (1), 270-280, 2022	2	2022
New insights into the determinants of specificity in human type I Arginase: Generation of a mutant that is only active with Agmatine as substrate MS Orellana, GA Jaña, M Figueroa, J Martínez-Oyanedel, FE Medina, ... International Journal of Molecular Sciences 23 (12), 6438, 2022	2	2022
Correction to “How the Destabilization of a Reaction Intermediate Affects Enzymatic Efficiency: The Case of Human Transketolase” M Prejano, FE Medina, MJ Ramos, N Russo, PA Fernandes, T Marino ACS Catalysis 10 (9), 5372-5372, 2020		2020

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