DweipayanG / GROMACS-Protein-LigandLinks
☆59Updated 3 years ago
Alternatives and similar repositories for GROMACS-Protein-Ligand
Users that are interested in GROMACS-Protein-Ligand are comparing it to the libraries listed below
Sorting:
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆60Updated 5 months ago
- Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking☆72Updated last year
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆78Updated 9 months ago
- Predict the binding affinity of protein-protein complexes from structural data☆167Updated 3 months ago
- Let LLM run your MDs.☆244Updated 4 months ago
- A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).☆92Updated 2 months ago
- A Consensus Docking Plugin for PyMOL☆79Updated last year
- A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.☆115Updated 6 years ago
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆85Updated 9 months ago
- Molecular Dynamics for Experimentalists☆65Updated 2 months ago
- Vina-GPU 2.0 accelerates AutoDock Vina and its related commonly derived docking methods, such as QuickVina 2 and QuickVina-W with GPUs.☆113Updated 2 years ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆84Updated 3 months ago
- Slides + Iframe = sliFrame☆55Updated 9 months ago
- ☆36Updated 4 years ago
- Analysis of alphafold and colabfold results☆32Updated 3 weeks ago
- Code for ColabDock paper☆151Updated 8 months ago
- ☆22Updated last year
- Official repo of the modular BioExcel version of HADDOCK☆216Updated 2 weeks ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆74Updated 2 years ago
- ☆139Updated 3 years ago
- Python3 translation of AutoDockTools☆131Updated last year
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆157Updated last month
- Set of Python scripts designed to be a dependency-free cross-platform swiss army knife for PDB files.☆26Updated 3 years ago
- AlphaFold-initiated replica exchange protein docking☆87Updated 7 months ago
- Set of useful HADDOCK utility scripts☆57Updated 4 months ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆63Updated 6 months ago
- Official repository for the ProteinDJ protein design pipeline☆81Updated 2 weeks ago
- Calculation of interatomic interactions in molecular structures☆83Updated 4 years ago
- Scoring function for interprotein interactions in AlphaFold2 and AlphaFold3☆188Updated 2 weeks ago
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆68Updated 3 years ago