ld139 / ApoDock_public
Code for ApoDock
☆15Updated last week
Alternatives and similar repositories for ApoDock_public:
Users that are interested in ApoDock_public are comparing it to the libraries listed below
- Explicit crosslinks in AlphaFold 3☆14Updated last month
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Updated last year
- MEGADOCK on Google Colaboratory☆14Updated last year
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆13Updated 8 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆23Updated 11 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆14Updated 3 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆24Updated 3 months ago
- Python package wrapping the DOCK Fortran program and providing several tools built on top of it.☆11Updated 7 months ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆26Updated last year
- ☆23Updated last week
- Extension of ThermoMPNN for double mutant predictions☆19Updated this week
- ☆12Updated 7 months ago
- Official Implementation of CompassDock☆17Updated 3 months ago
- Some scripts that I keep using over and over.☆18Updated 2 weeks ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆12Updated last year
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆25Updated 9 months ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆17Updated last week
- GUI for interactive graph-based analyses of hydrogen bond networks in crystal structures and MD trajectories.☆9Updated last year
- ☆20Updated last year
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆20Updated last month
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆11Updated last month
- ☆15Updated last month
- Use AutoDock for Ligand-based Virtual Screening☆20Updated 5 months ago
- development repository for PyInteraph2☆22Updated last month
- Ligand binding site prediction and virtual screening☆12Updated 6 years ago
- ☆13Updated last year
- Binding pocket optimization based on force fields and docking scoring functions☆30Updated last month
- a pipeline for running MD simulations in the presence of probe molecules for druggability assessment☆12Updated 10 months ago
- Dockerized Version of the DiffDock model from MIT☆12Updated last year
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆18Updated last year