| Conformational analyses and docking studies of a series of 5-nitrofuran-and 5-nitrothiophen-semicarbazone derivatives in three possible binding sites of trypanothione and … M Vega-Teijido, I Caracelli, J Zukerman-Schpector Journal of Molecular Graphics and Modelling 24 (5), 349-355, 2006 | 31 | 2006 |
| A tellurium-based cathepsin B inhibitor: Molecular structure, modelling, molecular docking and biological evaluation I Caracelli, M Vega-Teijido, J Zukerman-Schpector, MHS Cezari, ... Journal of molecular structure 1013, 11-18, 2012 | 29 | 2012 |
| Purification, structural elucidation, antioxidant capacity and neuroprotective potential of the main polyphenolic compounds contained in Achyrocline satureioides (Lam) DC … M Martínez-Busi, F Arredondo, D González, C Echeverry, ... Bioorganic & Medicinal Chemistry 27 (12), 2579-2591, 2019 | 23 | 2019 |
| SVECV‐f12: benchmark of a composite scheme for accurate and cost effective evaluation of reaction barriers ON Ventura, M Kieninger, A Katz, M Vega‐Teijido, M Segovia, K Irving International Journal of Quantum Chemistry 121 (18), e26745, 2021 | 19 | 2021 |
| Crystallographic and docking (Cathepsins B, K, L and S) studies on bioactive halotelluroxetanes I Caracelli, SH Maganhi, J de Oliveira Cardoso, RLOR Cunha, ... Zeitschrift für Kristallographie-Crystalline Materials 233 (2), 113-124, 2018 | 11 | 2018 |
| Structure characterization of molecular complexes for non-linear optical materials I. X-ray analysis and AM1 calculations of 1: 1 complexes of 8-hydroxiquinoline (1) and … CC Carvalho, AJ Camargo, MV Teijido, PC Isolani, G Vicentini, ... Zeitschrift für Kristallographie-Crystalline Materials 218 (8), 575-580, 2003 | 11 | 2003 |
| Dipolar 1,3‐cycloaddition of thioformaldehyde S‐methylide (CH2SCH2) to ethylene and acetylene. A comparison with (valence) isoelectronic O3, SO2, CH2OO and CH … Z Salta, M Vega‐Teijido, A Katz, N Tasinato, V Barone, ON Ventura Journal of Computational Chemistry 43 (21), 1420-1433, 2022 | 7 | 2022 |
| Synthesis, crystal structure and theoretical studies of aryltellurenyl tetramethylthiourea (tmtu) iodine complexes: Ph-Te (tmtu) I (1) and β-naphtyl-Te (tmtu) I (2) E Schulz Lang, GN Ledesma, U Abram, M Vega-Teijido, I Caracelli, ... Zeitschrift für Kristallographie-Crystalline Materials 221 (2), 166-172, 2006 | 7 | 2006 |
| Correcting the experimental enthalpies of formation of some members of the biologically significant sulfenic acids family ON Ventura, M Segovia, M Vega-Teijido, A Katz, M Kieninger, N Tasinato, ... The Journal of Physical Chemistry A 126 (36), 6091-6109, 2022 | 5 | 2022 |
| Theoretical insight into the mechanism for the inhibition of the cysteine protease cathepsin B by 1, 2, 4-thiadiazole derivatives MA Vega-Teijido, S El Chamy Maluf, CR Bonturi, JR Sambrano, ... Journal of molecular modeling 20, 1-14, 2014 | 5 | 2014 |
| Dichloro [(E)-2-chloro-1-vinyl-cyclohexanol](4-methoxy phenyl) Te (IV). a case of conformational polymorphism MV Teijido, J Zukerman-Schpector, RL Camillo, I Caracelli, HA Stefani, ... Zeitschrift für Kristallographie-Crystalline Materials 218 (9), 636-641, 2003 | 5 | 2003 |
| An in silico study of the citrus dioxygenases CCD4 family substrates M Vega-Teijido, J Cantero, MJ Rodrigo, C López, MP Zunini Journal of Biomolecular Structure and Dynamics 37 (8), 2086-2097, 2019 | 4 | 2019 |
| Structure characterization of molecular complexes for non-linear optical materials. II. 1 : 1 complexes of 4-methyl-morpholine-N-oxide (1) and 3-picoline-N-oxide (2 … J Zukerman-Schpector, M Vega-Teijido, CC Carvalho, PC Isolani, ... Zeitschrift für Kristallographie 222 (8), 427-431, 2007 | 4 | 2007 |
| Molecular structure of two C-aryl-iminocyclitols studied by X-ray and ab initio calculations J Zukerman-Schpector, I Caracelli, M Vega-Teijido, ALL Garcia, ... Zeitschrift für Kristallographie-Crystalline Materials 220 (1), 45-49, 2005 | 3 | 2005 |
| Dichloro (cyclohexilidene-1-methylene)(phenyl) Te (IV). Looking for the theoretical treatment M Vega-Teijido, J Zukerman-Schpector, ON Ventura, RL Camillo, ... Zeitschrift für Kristallographie-Crystalline Materials 219 (10), 652-658, 2004 | 3 | 2004 |
| Crystal and molecular structures of 4-substituted 3, 4-dihydropyrimidin-2 (1H)-ones studied by X-ray and AM1 and B3LYP calculations M Vega-Teijido, J Zukerman-Schpector, F Macedo Nunes, PM Gatti, ... Zeitschrift für Kristallographie-Crystalline Materials 222 (12), 705-712, 2007 | 2 | 2007 |
| A theoretical study of CCD4a dioxygenase of citrus, a cleavage enzyme of carotenoids in plants M Vega-Teijido, MP Zunini, C López, MJ Rodrigo Revista Processos Químicos 9 (18), 163-165, 2015 | 1 | 2015 |
| Accuracy of enthalpies of formation of hydrocarbons using the SVECV-f12 protocol and comparison to other composite methods M Vega-Teijido, ME Segovia, M Kieninger, ON Ventura The Journal of Chemical Thermodynamics 189, 107197, 2024 | | 2024 |
| Atmospheric oxidation of furanones by• OH and• Cl radicals: In situ FTIR rate coefficient determinations, SAR and theoretical studies A Baptista, RG Gibilisco, M Vega-Teijido, ON Ventura, MA Teruel Chemosphere 338, 139500, 2023 | | 2023 |
| Theoretical study of the reactions of the hydroselenyl radical (HSe●) with the selenenic radical (HSeO●) MA Vega-Teijido, M Kieninger, ON Ventura Journal of Molecular Modeling 24, 1-8, 2018 | | 2018 |
