NRGlab / ENCoMLinks
Elastic Network Contact Model (coarse-grained Normal Mode Analysis software)
☆14Updated 7 years ago
Alternatives and similar repositories for ENCoM
Users that are interested in ENCoM are comparing it to the libraries listed below
Sorting:
- PCA and normal mode analysis of proteins☆17Updated last year
- This repo contains the collection of codes to find designer interfacial mutations☆17Updated last year
- ☆30Updated 2 months ago
- Contact map analysis for biomolecules; based on MDTraj☆45Updated 6 months ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- ☆9Updated 2 years ago
- MMTSB Tool Set☆31Updated last month
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 4 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- Python package to atom map, correct and suggest enzymatic reactions☆40Updated last year
- Python script that creates 2D protein-ligand interaction images☆14Updated 7 years ago
- Web cards/apps describing peptides☆29Updated 2 years ago
- development repository for PyInteraph2☆22Updated 3 months ago
- Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…☆46Updated 3 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆44Updated last year
- ☆8Updated 6 years ago
- ☆15Updated 7 years ago
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 5 years ago
- Cloud-based Drug Binding Structure Prediction☆38Updated 4 months ago
- Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic b…☆35Updated last week
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆44Updated 2 years ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆42Updated 2 years ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆17Updated last year
- Python snippets for PyMOL to be run in Jupyterlab via the jupyterlab-snippets-multimenus extension.☆24Updated last year
- Fast and versatile biomolecular structure PDB file parser using SQL queries☆24Updated 2 years ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆30Updated 2 weeks ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated last month
- ☆17Updated 3 years ago
- Scores for Hydrophobicity and Charges based on SASAs☆32Updated last month
- A Rust implementation of the LightDock macromolecular docking software☆29Updated last year