JoaoRodrigues / interfacea
An open-source library for the analysis of protein interactions.
☆29Updated 3 years ago
Alternatives and similar repositories for interfacea:
Users that are interested in interfacea are comparing it to the libraries listed below
- PyDock Tutorial☆30Updated 6 years ago
- Scores for Hydrophobicity and Charges based on SASAs☆31Updated 3 weeks ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆41Updated 2 years ago
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆68Updated 7 months ago
- Fully automated high-throughput MD pipeline☆58Updated 2 weeks ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆32Updated last year
- ☆85Updated last month
- ☆38Updated last week
- Efficient manipulation of protein structures in Python☆53Updated 5 months ago
- A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins☆18Updated last year
- Analysis of contacts in molecular dynamics trajectories☆42Updated 5 years ago
- Explicit crosslinks in AlphaFold 3☆21Updated 3 weeks ago
- A bundle of deep-learning packages for biomolecular structure prediction and design contributed to the Rosetta Commons☆35Updated 2 years ago
- Ligand-Protein Interaction Mapping☆37Updated last week
- development repository for PyInteraph2☆22Updated 2 weeks ago
- Binding pocket optimization based on force fields and docking scoring functions☆31Updated 3 weeks ago
- Collection of Python scripts to setup and run simulations with OpenMM☆16Updated 4 years ago
- Automated construction of protein chimeras and their analysis.☆14Updated last year
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated 10 months ago
- Framework for the rapid modeling glycans and glycoproteins.☆29Updated last year
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆16Updated last week
- Modelling of Large Protein Complexes☆37Updated last year
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆47Updated 2 weeks ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 6 months ago
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆17Updated 3 years ago
- Making Protein folding accessible to all!☆22Updated last year
- Scoring function for interprotein interactions in AlphaFold2 and AlphaFold3☆44Updated last week
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆27Updated 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 9 months ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆57Updated last month