Publicaciones en las que colabora con RAFAEL GARCIA MESEGUER (8)

2023

  1. Insights into the Enhancement of the Poly(ethylene terephthalate) Degradation by FAST-PETase from Computational Modeling

    Journal of the American Chemical Society, Vol. 145, Núm. 35, pp. 19243-19255

2021

  1. Corrigendum to “Mechanistic study of the biosynthesis of R-phenylacetylcarbinol by acetohydroxyacid synthase enzyme using hybrid quantum mechanics/molecular mechanics simulations” [Arch. Biochem. Biophys. 701 (2021) 108807] (Arch. Biochem. Biophys.(2021) 701 (108807) (S0003-9861(21)00057-6) (10.1016/j.abb.2021.108807))

    Archives of Biochemistry and Biophysics

  2. Erratum: Mechanistic study of the biosynthesis of R-phenylacetylcarbinol by acetohydroxyacid synthase enzyme using hybrid quantum mechanics/molecular mechanics simulations (Archives of Biochemistry and Biophysics (2021) 701, (S0003986121000576), (10.1016/j.abb.2021.108807))

    Archives of Biochemistry and Biophysics

  3. Mechanistic study of the biosynthesis of R-phenylcarbinol by acetohydroxyacid synthase enzyme using hybrid quantum mechanics/molecular mechanics simulations

    Archives of Biochemistry and Biophysics, Vol. 701

2019

  1. A molecular dynamics study on the role of the protonation state in the biosynthesis of R-PAC by AHAS

    Chemical Physics Letters, Vol. 716, pp. 247-251

2015

  1. Linking electrostatic effects and protein motions in enzymatic catalysis. A theoretical analysis of catechol O-methyltransferase

    Journal of Physical Chemistry B, Vol. 119, Núm. 3, pp. 873-882

2013

  1. Increased dynamic effects in a catalytically compromised variant of escherichia coli dihydrofolate reductase

    Journal of the American Chemical Society, Vol. 135, Núm. 49, pp. 18689-18696

  2. Studying the role of protein dynamics in an SN2 enzyme reaction using free-energy surfaces and solvent coordinates

    Nature Chemistry, Vol. 5, Núm. 7, pp. 566-571