inpacdb / PepVisLinks
Peptide Virtual Screening Pipeline
☆9Updated 5 years ago
Alternatives and similar repositories for PepVis
Users that are interested in PepVis are comparing it to the libraries listed below
Sorting:
- MEGADOCK on Google Colaboratory☆17Updated last year
- Python code to automatically interact with PDBePISA web server☆10Updated 2 years ago
- KDS software for Kinase Drug Selectivity☆11Updated last year
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 8 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 2 weeks ago
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Updated 10 years ago
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆12Updated 2 years ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- Code for ApoDock☆20Updated last month
- ☆25Updated 3 years ago
- Ligand binding site prediction and virtual screening☆12Updated 6 years ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆15Updated last year
- ☆9Updated 2 years ago
- EvolveX, a de novo antibody computational design pipeline.☆11Updated 5 months ago
- De novo design of small molecule binding sites into proteins☆12Updated 4 years ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated last year
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆19Updated 6 years ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆27Updated 4 months ago
- Material to run the HADDOCK antibody-antigen modelling protocol☆22Updated last year
- GUI for interactive graph-based analyses of hydrogen bond networks in crystal structures and MD trajectories.☆9Updated 2 years ago
- Snippets for common computer-aided drug design tasks☆10Updated 7 years ago
- ☆16Updated 4 months ago
- For the purpose of post progressing of MD carried by gromacs☆22Updated 2 months ago
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆26Updated last week
- Perform probe-guided blind docking with FTMap and DOCK6☆10Updated 2 years ago
- development repository for PyInteraph2☆22Updated 2 months ago
- ☆26Updated 3 weeks ago
- Python package wrapping the DOCK Fortran program and providing several tools built on top of it.☆14Updated last month
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 2 months ago
- Some scripts that I keep using over and over.☆18Updated 5 months ago