Denis Maag

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 4

Top Topics

Electron Transfer

Molecular Dynamics

Protein Protein

Top Venues

The Journal of chemical physics

Physical chemistry chemical physics : PCCP

Proceedings of the National Academy of Sciences of the United States of America

This page only lists publications with an associated author ORCID identifier.

Publications

Denis Maag, Josua Böser, Henryk A Witek, Ben Hourahine, Marcus Elstner, Tomáš Kubař
Mechanism of proton-coupled electron transfer described with QM/MM implementation of coupled-perturbed density-functional tight-binding. The Journal of chemical physics 158 (12) (2023)
Julian Böser, Tomáš Kubař, Marcus Elstner, Denis Maag
Reduction pathway of glutaredoxin 1 investigated with QM/MM molecular dynamics using a neural network correction. The Journal of chemical physics 157 (15) (2022)
Denis Maag, Marina Putzu, Claudia L Gómez-Flores, Frauke Gräter, Marcus Elstner, Tomáš Kubař
Electrostatic interactions contribute to the control of intramolecular thiol-disulfide isomerization in a protein. Physical chemistry chemical physics : PCCP 23 (46) (2021)
Denis Maag, Thilo Mast, Marcus Elstner, Qiang Cui, Tomáš Kubař
O to bR transition in bacteriorhodopsin occurs through a proton hole mechanism. Proceedings of the National Academy of Sciences of the United States of America 118 (39) (2021)