Mauricio Vega-Teijido

发表

Molecular structure of two C-aryl-iminocyclitols studied by X-ray and ab initio calculations

J. Zukerman-Schpector, C. R. Correia, I. Caracelli, 2005 .

Correcting the Experimental Enthalpies of Formation of Some Members of the Biologically Significant Sulfenic Acids Family.

Zoi Salta, N. Tasinato, M. Kieninger, 2022, The journal of physical chemistry. A.

Dipolar 1,3‐cycloaddition of thioformaldehyde S‐methylide (CH2SCH2) to ethylene and acetylene. A comparison with (valence) isoelectronic O3, SO2, CH2OO and CH2SO

V. Barone, Zoi Salta, N. Tasinato, 2022, J. Comput. Chem..

Purification, structural elucidation, antioxidant capacity and neuroprotective potential of the main polyphenolic compounds contained in Achyrocline satureioides (Lam) D.C. (Compositae).

David I. Gonzalez, F. Dajas, J. A. Abin-Carriquiry, 2019, Bioorganic & medicinal chemistry.

Crystal and molecular structures of 4-substituted 3,4-dihydropyrimidin-2(1H)-ones studied by X-ray and AM1 and B3LYP calculations

J. Zukerman-Schpector, H. A. Stefani, I. Caracelli, 2007 .

Synthesis, crystal structure and theoretical studies of aryltellurenyl tetramethylthiourea(tmtu) iodine complexes: Ph-Te(tmtu)I (1) and β-naphtyl-Te(tmtu)I (2)

Gabriela N. Ledesma, J. Zukerman-Schpector, I. Caracelli, 2006 .

Crystallographic and docking (Cathepsins B, K, L and S) studies on bioactive halotelluroxetanes

E. Tiekink, J. Zukerman-Schpector, R. Cunha, 2017 .

A tellurium-based cathepsin B inhibitor: Molecular structure, modelling, molecular docking and biological evaluation

E. Tiekink, L. Juliano, J. Zukerman-Schpector, 2012 .

Conformational analyses and docking studies of a series of 5-nitrofuran- and 5-nitrothiophen-semicarbazone derivatives in three possible binding sites of trypanothione and glutathione reductases.

J. Zukerman-Schpector, I. Caracelli, Mauricio Vega-Teijido, 2006, Journal of molecular graphics & modelling.

An in silico study of the citrus dioxygenases CCD4 family substrates

M. Rodrigo, M. Vega-Teijido, J. Cantero, 2018, Journal of biomolecular structure & dynamics.

SVECV ‐f12: Benchmark of a composite scheme for accurate and cost effective evaluation of reaction barriers

M. Kieninger, O. Ventura, Aline Katz, 2021, International Journal of Quantum Chemistry.

Theoretical insight into the mechanism for the inhibition of the cysteine protease cathepsin B by 1,2,4-thiadiazole derivatives

J. Sambrano, O. Ventura, Mauricio Vega-Teijido, 2014, Journal of Molecular Modeling.

Theoretical study of the reactions of the hydroselenyl radical (HSe●) with the selenenic radical (HSeO●)

M. Kieninger, O. Ventura, Mauricio Vega-Teijido, 2017, Journal of Molecular Modeling.

Dichloro(cyclohexilidene-1-methylene)(phenyl)Te(IV). Looking for the theoretical treatment

Rafael C. Guadagnin, J. Zukerman-Schpector, A. L. Braga, 2004 .

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) with 2,4,6-trinitrophenol, studied by X-ray, AM1 and DFT calculations

P. C. Isolani, J. Zukerman-Schpector, I. Caracelli, 2007 .