Isotope Effects as Probes for Enzyme Catalyzed Hydrogen-Transfer Reactions

by Roston, Daniel, Islam, Zahidul, Kohen, Amnon
Published 2013

Computational Replication of the Abnormal Secondary Kinetic Isotope Effects in a Hydride Transfer Reaction in Solution with a Motion Assisted H-Tunneling Model

by Kashefolgheta, Sadra, Razzaghi, Mortezaali, Hammann, Blake, Eilers, James, Roston, Daniel, Lu, Yun
Published 2014

Molecular Simulation of Water and Hydration Effects in Different Environments: Challenges and Developments for DFTB Based Models

by Goyal, Puja, Qian, Hu-Jun, Irle, Stephan, Lu, Xiya, Roston, Daniel, Mori, Toshifumi, Elstner, Marcus, Cui, Qiang
Published 2014