Simulation-Enabled Estimation of Kinetic Rates - Version 2
-
Updated
Dec 10, 2025 - Python
#
namd2
Here are 3 public repositories matching this topic...
Comprehensive molecular dynamics simulations and drug design analysis for PTEN protein: workflows include protein dynamics, binding site detection, ligand screening, and filtering for therapeutic discovery.
sitemap bioinformatics clustering structural-biology vmd maestro molecular-dynamics-simulation glide charmm docking drug-design mds trajectory-analysis virtual-screening cadd computer-aided-drug-design namd2 pten chembioserver qikprop
-
Updated
Nov 25, 2024 - Jupyter Notebook
ASOs in LNPs with receptor-guided permeation
-
Updated
Sep 18, 2025 - Python
Add this topic to your repo
To associate your repository with the namd2 topic, visit your repo's landing page and select "manage topics."