PhD Student, Biophysics
Department of Applied Physics
KTH Royal Institute of Technology
anton.jansen@scilifelab.se
Project:
So far, I have helped to implement a constant-pH molecular dynamics (CpHMD) implementation in GROMACS. Furthermore, I have developed a tool that automates the set up process of such simulations, and I have applied our novel CpHMD implementation to study proton-dependent conformational states of the ion channel GLIC (in collaboration with the Lindahl group). Doctoral advisor: prof. Berk Hess.
Publications:
- phbuilder: a tool for efficiently setting up constant pH simulations in GROMACS (preprint).
- Best Practices in Constant pH MD Simulations: Accuracy and Sampling, JCTC, 2022.
- Scalable Constant pH Molecular Dynamics in GROMACS, JCTC, 2022.
Also:
- Authored a Python package for setting up CpHMD simulations.
- Awarded poster prize at the 2023 European Biophysics Conference (EBSA).
- Platform speaker at the 2022 Biophysical Society in San Francisco.
- Teaching assistant (2x) for the Simulation and Modeling course at KTH.
Other experience:
- Teaching assistant (5x bachelor courses), University of Groningen (2015-2019).
- Chairman of the Board, study association for Engineering Physics, UG (2016-2017).
Education:
- MSc Physics (cum laude), University of Groningen (2020).
- Honours College, University of Groningen (2019).
- BSc Physics, University of Groningen (2017).
Profiles:
You must be logged in to post a comment.