Publikationen in Zusammenarbeit mit Forschern von Cardiff University (4)

2019

  1. Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices

    Chemical Science, Vol. 10, Núm. 43, pp. 9954-9968

2015

  1. Prediction of enhanced solvent-induced enantioselectivity for a ring opening with a bifurcating reaction path

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 13, pp. 8372-8381

2013

  1. Unraveling the role of protein dynamics in dihydrofolate reductase catalysis

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 110, Núm. 41, pp. 16344-16349

2011

  1. Nonstatistical dynamics in unlikely places: [1,5] Hydrogen migration in chemically activated cyclopentadiene

    Journal of the American Chemical Society, Vol. 133, Núm. 14, pp. 5312-5318