Divide-and-conquer approach to study protein tunnels in long molecular dynamics simulations
收藏资源简介：
# *"Divide-and-conquer approach to study protein tunnels in long molecular dynamics simulations"* The input files and data used for the paper *"Divide-and-conquer approach to study protein tunnels in long molecular dynamics simulations"* are separated in the different folders depending stage they belong to. ## Folders 1. **01_inputs:** The MD trajectory of DhaA used (only protein atoms present)<br> 2. **02_sliced_trajectory:** The CAVER3 results for the sliced trajectory (eight parts)<br> 3. **03_sliced_filtered:** Filtered CAVER3 results and results from the divide-and-conquer approach<br> 4. **04_full_trajectory:** The CAVER3 results for the full trajectory analysis<br> 5. **05_guided_example:** Guided example for the divide-and-conquer approach<br>
