Publications

Sonia Alvarez-Barcia, and Johannes Kästner. Atom Tunneling in the Hydroxylation Process of Taurine/alpha-Ketoglutarate Dioxygenase Identified by Quantum Mechanics/Molecular Mechanics Simulations. JOURNAL OF PHYSICAL CHEMISTRY B, (121)21:5347-5354, AMER CHEMICAL SOC, June 2017. [PUMA: 2017 chemistry mechanics molecular physical sfb716 sfb716-c6 simulation simulations vis(us) visus:kaestnjs] URL

Gizem Inci, Axel Arnold, Andreas Kronenburg, and Rudolf Weeber. Modelling nano-particle agglomeration using local interactions. Aerosol Science and Technology, (48)8:842-852, April 2014. [PUMA: 2014 computional dynamics fluid mechanics modeling nanoparticle sfb716 sfb716-a8 simulation turbulence vis(us) visus:kronenas] URL