Popular repositories Loading

1. tutorial_dcTMD tutorial_dcTMD Public

   Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.

   Python 9 4

2. dcTMD_scripts_v1.0 dcTMD_scripts_v1.0 Public

   Python scripts for the application of dissipation-corrected targeted molecular dynamics analysis.

   Python 2 6

3. Langevin_T_boost Langevin_T_boost Public

   Forked from benlickert/Langevin_T_boost

   Includes C++ code to run Markovian Langevin equations in units compatible with the dcTMD correction scripts available at www.moldyn.uni-freiburg.de/software/software.html. In addition, a jupyter no…

   Jupyter Notebook 2 1

4. 2Dmodel_path_analysis 2Dmodel_path_analysis Public

   Jupyter notebook with 2D test potential energy landscape for performing model biased simulations combined with pathway analysis.

   Jupyter Notebook 1