Publications in collaboration with researchers from University of Colorado Boulder (2)

2025

  1. Molecular dynamics simulations for enzymatic hydride-transfer reactions: Defining environmental reaction coordinates to capture transition state diversity

    Journal of Chemical Physics, Vol. 162, Núm. 12

2008

  1. Dynamic effects on reaction rates in a Michael addition catalyzed by chalcone isomerase. Beyond the frozen environment approach

    Journal of the American Chemical Society, Vol. 130, Núm. 23, pp. 7477-7488