| Four amino acids define the CO2 binding pocket of enoyl-CoA carboxylases/reductases GMM Stoffel, DA Saez, H DeMirci, B Vögeli, Y Rao, J Zarzycki, ... Proceedings of the National Academy of Sciences 116 (28), 13964-13969, 2019 | 43 | 2019 |
| A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulation DA Saez, E Vöhringer-Martinez Journal of computer-aided molecular design 29, 951-961, 2015 | 29 | 2015 |
| Awakening the Sleeping Carboxylase Function of Enzymes: Engineering the Natural CO2-Binding Potential of Reductases I Bernhardsgrütter, K Schell, DM Peter, F Borjian, DA Saez, ... Journal of the American Chemical Society 141 (25), 9778-9782, 2019 | 27 | 2019 |
| High level ab initio binding energy distribution of molecules on interstellar ices: Hydrogen fluoride G Bovolenta, S Bovino, E Vöhringer-Martinez, DA Saez, T Grassi, ... Molecular Astrophysics 21, 100095, 2020 | 20 | 2020 |
| Atom-condensed fukui function in condensed phases and biological systems and its application to enzymatic fixation of carbon dioxide J Oller, DA Saez, E Vöhringer-Martinez The Journal of Physical Chemistry A 124 (5), 849-857, 2020 | 15 | 2020 |
| Intersubunit Coupling Enables Fast CO2-Fixation by Reductive Carboxylases H DeMirci, Y Rao, GM Stoffel, B Vogeli, K Schell, A Gomez, A Batyuk, ... ACS central science 8 (8), 1091-1101, 2022 | 11 | 2022 |
| Catalytic Reaction Mechanism in Native and Mutant Catechol-O-methyltransferase from the Adaptive String Method and Mean Reaction Force Analysis DA Saez, K Zinovjev, I Tuñón, E Vöhringer-Martinez The Journal of Physical Chemistry B 122 (38), 8861-8871, 2018 | 11 | 2018 |
| The effect of the environment on the methyl transfer reaction mechanism between trimethylsulfonium and phenolate DA Saez, S Vogt-Geisse, R Inostroza-Rivera, T Kubař, M Elstner, ... Physical Chemistry Chemical Physics 18 (34), 24033-24042, 2016 | 10 | 2016 |
| Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions OA Douglas‐Gallardo, DA Saez, S Vogt‐Geisse, E Vöhringer‐Martinez Journal of computational chemistry 40 (13), 1401-1413, 2019 | 6 | 2019 |
| Structural adaptation of oxygen tolerance in 4-hydroxybutyrl-CoA dehydratase, a key enzyme of archaeal carbon fixation H DeMirci, BB Tolar, T Doukov, A Petriceks, A Pal, Y Yoshikuni, A Gomez, ... bioRxiv, 2020.02. 05.935528, 2020 | 4 | 2020 |
| Covalent Adduct Formation as a Strategy for Efficient CO2 Fixation in Crotonyl-CoA Carboxylases/Reductases R Recabarren, M Tinzl, DA Saez, A Gomez, TJ Erb, ... ACS Catalysis 13 (9), 6230-6241, 2023 | 2 | 2023 |
| Evaluation of the reaction mechanism between 1, 4-dihydropyridines and α, β-unsaturated nitriles. DA Saez, S Vogt-Geisse, E Vöhringer-Martinez | | 2022 |
| Ene-adducts from 1, 4-dihydropyridines and α, β-unsaturated nitriles: Asynchronous transition state displaying aromatic features DA Saez, S Vogt-Geisse, E Vöhringer-Martinez Organic & Biomolecular Chemistry, 2022 | | 2022 |
| How to fix CO2 with four amino acids: Enoyl-CoA carboxylase/reducase QM/MM study E Vohringer-Martinez, D Saez ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Supporting Information: Atom Condensed Fukui Function in Condensed Phases and Biological Systems and its Application to Enzymatic Fixation of Carbon Dioxide J Oller, DA Saez, E Vöhringer-Martinez | | |
Esteban Vöhringer-MartinezDepartamento de Físico-Química, Facultad de Ciencias Químicas, Universidad de ConcepciónVerified email at udec.cl
