publicaciones seleccionadas artículo académico Mechanistic study of the biosynthesis of R-phenylacetylcarbinol by acetohydroxyacid synthase enzyme using hybrid quantum mechanics/molecular mechanics simulations. ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS. 707. 2021 Mechanistic study of the biosynthesis of R-phenylcarbinol by acetohydroxyacid synthase enzyme using hybrid quantum mechanics/molecular mechanics simulations. ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS. 701. 2021 A molecular dynamics study on the role of the protonation state in the biosynthesis of R-PAC by AHAS. CHEMICAL PHYSICS LETTERS. 716:247-251. 2019 A DFT study on the chiral synthesis of R-phenylacetyl carbinol within the quantum chemical cluster approach. CHEMICAL PHYSICS LETTERS. 677:30-34. 2017 Computer-assisted study on the reaction between pyruvate and ylide in the pathway leading to alctyl-ThDP. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN. 26:977-982. 2012