sjdv1982 / attractLinks
ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)
☆19Updated 4 months ago
Alternatives and similar repositories for attract
Users that are interested in attract are comparing it to the libraries listed below
Sorting:
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 5 years ago
- Peptide Virtual Screening Pipeline☆11Updated 6 years ago
- Protein-Protein Docking using Genetic Algorithm☆18Updated last week
- Analysis and design of protein-protein or protein-peptide interactions based on atlas database.☆15Updated 3 years ago
- This repository contains code for the paper: "Tertiary motifs as building blocks for the design of protein-binding peptides"☆21Updated last year
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Updated 3 years ago
- ☆30Updated 6 months ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆29Updated 5 months ago
- Ligand binding site prediction and virtual screening☆12Updated 7 years ago
- Prediction of Protein-Small molecule binding affinities☆17Updated 2 months ago
- A unified and modular interface to homology modelling software☆11Updated 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
- ☆13Updated 8 years ago
- Code for peptide ligand design with machine learning models.☆28Updated last year
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆24Updated 5 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆18Updated 2 years ago
- Python code to automatically interact with PDBePISA web server☆10Updated 3 years ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆17Updated 3 years ago
- MEGADOCK on Google Colaboratory☆20Updated 2 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Updated 2 months ago
- An MPI based parallel implementation of Autodock Vina☆16Updated 5 years ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Updated 4 years ago
- Computational Analysis of Novel Drug Opportunities☆40Updated last month
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆26Updated last month
- Perform probe-guided blind docking with FTMap and DOCK6☆10Updated 2 years ago
- Dock organometallic compounds to proteins/DNA/biomolecules☆18Updated 6 months ago
- An experimental package for deep learning for molecular docking☆20Updated 5 years ago
- PCA and normal mode analysis of proteins☆19Updated last year
- A Generalised workflow for obtaining protein and peptide molecular structures, docking the peptide into the protein and running a molecul…☆14Updated 11 months ago
- Web application for protein-ligand binding sites analysis and visualization☆16Updated 2 years ago