MengwuXiao / GetBox-PyMOL-PluginLinks
A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.
☆96Updated 6 years ago
Alternatives and similar repositories for GetBox-PyMOL-Plugin
Users that are interested in GetBox-PyMOL-Plugin are comparing it to the libraries listed below
Sorting:
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆76Updated 2 months ago
- SailVina重构增强版☆92Updated last year
- Python3 translation of AutoDockTools☆120Updated last year
- PyMOL extension to color AlphaFold structures by confidence (pLDDT).☆103Updated 11 months ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆49Updated 5 months ago
- A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).☆74Updated 10 months ago
- Official repo of the modular BioExcel version of HADDOCK☆167Updated this week
- ☆63Updated 3 weeks ago
- ☆167Updated 3 years ago
- ☆49Updated 2 years ago
- ☆31Updated 3 years ago
- ☆117Updated 2 years ago
- Predict the binding affinity of protein-protein complexes from structural data☆135Updated 2 months ago
- Tutorials, cheat sheets, and other resources for computational methods for protein design.☆113Updated last year
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆67Updated 2 years ago
- A Consensus Docking Plugin for PyMOL☆73Updated last year
- Set of useful HADDOCK utility scripts☆52Updated 9 months ago
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆157Updated 3 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.☆106Updated last year
- Code for ColabDock paper☆141Updated last month
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆119Updated 2 years ago
- MM-PBSA method for GROMACS. For full description, please visit homepage:☆67Updated 3 weeks ago
- Official repository for the Deep Docking protocol☆120Updated last year
- 好的CADD教程，资源总结☆24Updated last year
- ☆130Updated 8 months ago
- Download pdb/protein structures using Uniprot id; This script will download related PDB files, extract chains(Optional), remove duplicate…☆41Updated 10 months ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆69Updated 2 months ago
- Interface for AutoDock, molecule parameterization☆257Updated 2 weeks ago
- This repository contains the positive-unlabeled learning-based enzyme promiscuity prediction model as described in the paper Deep learnin…☆16Updated 4 months ago
- AIDD Tutorial Files，人工智能药物设计教程相关文件☆14Updated 2 years ago