Degiacomi-Lab / JabberDock
protein docking using a density-based descriptor for atoms charge and dynamics
☆14Updated 2 years ago
Alternatives and similar repositories for JabberDock:
Users that are interested in JabberDock are comparing it to the libraries listed below
- Automated construction of protein chimeras and their analysis.☆14Updated last year
- PyMOL Plugin for displaying polar contacts☆16Updated 5 years ago
- Collection of Python scripts to setup and run simulations with OpenMM☆15Updated 4 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆27Updated 9 months ago
- development repository for PyInteraph2☆22Updated last month
- Python script that creates 2D protein-ligand interaction images☆14Updated 6 years ago
- Molecular docking with Alchemical Interaction Grids☆26Updated this week
- MMTSB Tool Set☆31Updated 2 months ago
- Docking Tutorial Using Autodock Vina version 1.2.3 (2021) and AutoDock-GPU Version 1.5.3☆27Updated 4 months ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 2 years ago
- ☆13Updated 6 years ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆14Updated 3 months ago
- Subpocket-based fingerprint for kinase pocket comparison☆32Updated last year
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆18Updated 3 years ago
- A software research tool for the analysis of structural communication in protein ensembles☆13Updated 2 years ago
- Scores for Hydrophobicity and Charges based on SASAs☆25Updated 4 months ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆17Updated last week
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Updated 6 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆18Updated 2 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆39Updated this week
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Updated this week
- Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic b…☆27Updated this week
- A parallel molecular docking program based on AutoDock Vina☆19Updated 6 years ago
- WaterDock-2.0 implementation with Akshay Sridhar☆15Updated last year
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆55Updated last week
- ☆22Updated 2 months ago
- ☆13Updated last year
- Scripts to do docking, single virtual screening, and etc.☆17Updated last year
- A place to store and edit the lab handbook for UCL courses that involve the use of open source tools in molecular docking.☆22Updated 2 years ago
- ☆30Updated 9 months ago