Jupyter notebook with 2D test potential energy landscape for performing model biased simulations combined with pathway analysis as describes in S. Wolf, M. Post and G. Stock, Path separation of dissipation-corrected targeted molecular dynamics simulations of protein-ligand unbinding, https://arxiv.org/abs/2212.07154 (2022).
forked from floWneffetS/2Dmodel_path_analysis
-
Notifications
You must be signed in to change notification settings - Fork 0
moldyn/2Dmodel_path_analysis
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
About
Jupyter notebook with 2D test potential energy landscape for performing model biased simulations combined with pathway analysis.
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published
Languages
- Jupyter Notebook 100.0%