2 papers
physics.chem-ph2012
In silico modeling of the molecular structure and binding of leukotriene A4 into leukotriene A4 hydrolase
Paula B. Paz, Esteban G. Vega-Hissi, Mario R. Estrada +1
A combined molecular docking and molecular structure in silico analysis on the substrate and product of leukotriene A4 hydrolase (LTA4H) was performed. The molecular structures of…
physics.chem-ph2012
Solvent effect on the Thermodynamics of the Oxidation of Potential Antioxidant Garlic Compounds
M. F. Andrada, E. G. Vega Hissi, J. C. Garro Martínez +3
Antioxidant capacity of garlic has been attributed to organic sulfur compounds such us allyl methyl disulfide. Using quantum chemical calculations at B3LYP/6-31+G (d) and G3MP2B3/6…