BioComputingUP / ring-pymol
This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua
☆23Updated 2 weeks ago
Alternatives and similar repositories for ring-pymol:
Users that are interested in ring-pymol are comparing it to the libraries listed below
- PyDock Tutorial☆30Updated 6 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 4 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated this week
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆26Updated 10 months ago
- Code for ApoDock☆18Updated last month
- Fully automated high-throughput MD pipeline☆54Updated this week
- Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations☆38Updated last week
- Binding pocket optimization based on force fields and docking scoring functions☆30Updated 2 months ago
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆23Updated 4 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆14Updated 4 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆29Updated 10 months ago
- Automated construction of protein chimeras and their analysis.☆14Updated last year
- Scores for Hydrophobicity and Charges based on SASAs☆29Updated 2 weeks ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆28Updated 2 weeks ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆17Updated 7 months ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆26Updated last year
- Extension of ThermoMPNN for double mutant predictions☆24Updated last month
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆38Updated 9 months ago
- model builder for molecular dynamics simulations☆13Updated 2 years ago
- Some scripts that I keep using over and over.☆18Updated last month
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆13Updated last year
- ☆12Updated 8 months ago
- Cryptic pocket prediction using AlphaFold 2☆22Updated 2 years ago
- Code for designing binders to flexible peptides with AlphaFold2 Hallucination☆20Updated last year
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- Use AutoDock for Ligand-based Virtual Screening☆20Updated 6 months ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆26Updated 3 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆37Updated last year
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆27Updated 7 months ago
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆26Updated 8 months ago