Hoecker-Lab / atligatorLinks
Analysis and design of protein-protein or protein-peptide interactions based on atlas database.
☆15Updated 3 years ago
Alternatives and similar repositories for atligator
Users that are interested in atligator are comparing it to the libraries listed below
Sorting:
- Peptide Virtual Screening Pipeline☆11Updated 6 years ago
- MEGADOCK on Google Colaboratory☆18Updated 2 years ago
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆19Updated 4 years ago
- ☆15Updated 2 weeks ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Updated 4 years ago
- Generates consistent PSSM and/or PDB files for protein-protein complexes☆20Updated 3 years ago
- A unified and modular interface to homology modelling software☆11Updated 2 years ago
- A Motif-Based PPI Searching Pipeline for PPI Mining and Protein Design☆19Updated 8 months ago
- Material to run the HADDOCK antibody-antigen modelling protocol☆22Updated 2 weeks ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆29Updated 3 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 4 months ago
- MD DaVis: A python package to analyze molecular dynamics trajectories of proteins☆16Updated 7 months ago
- De novo design of small molecule binding sites into proteins☆12Updated 4 years ago
- ☆22Updated 5 months ago
- iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machi…☆31Updated 3 years ago
- Python code to automatically interact with PDBePISA web server☆11Updated 3 years ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆33Updated last year
- ☆27Updated 2 weeks ago
- This repository contains code for the paper: "Tertiary motifs as building blocks for the design of protein-binding peptides"☆17Updated last year
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated last year
- This is the GitHub repository accompanying Krishnan, Anahtar, Valeri, et al., 2025☆25Updated 4 months ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆14Updated 4 years ago
- Clusters protein chains based on CA distance difference☆16Updated 8 months ago
- Physical energy function for protein sequence design☆33Updated 2 years ago
- For the purpose of post progressing of MD carried by gromacs☆22Updated 3 months ago
- Code for deep learning guided design of dynamic proteins☆30Updated last year
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆21Updated 6 years ago
- Kinome-wide structural pocket similarity☆10Updated 2 years ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆16Updated 9 months ago
- An open-source library for the analysis of protein interactions.☆32Updated 3 years ago