NRGlab / ENCoMLinks
Elastic Network Contact Model (coarse-grained Normal Mode Analysis software)
☆14Updated 8 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☆18Updated last year
- ☆30Updated 3 months ago
- Contact map analysis for biomolecules; based on MDTraj☆46Updated 8 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…☆49Updated 3 years ago
- This repo contains the collection of codes to find designer interfacial mutations☆17Updated last year
- MMTSB Tool Set☆31Updated last week
- ☆45Updated 3 months ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆18Updated last year
- Python script that creates 2D protein-ligand interaction images☆14Updated 7 years ago
- development repository for PyInteraph2☆23Updated 5 months ago
- Dock organometallic compounds to proteins/DNA/biomolecules☆17Updated 3 months ago
- ☆21Updated 2 years ago
- Python package to atom map, correct and suggest enzymatic reactions☆40Updated last year
- The OpenMM Cookbook and Tutorials☆46Updated last week
- 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
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆30Updated 3 weeks ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 3 months ago
- Cloud-based Drug Binding Structure Prediction☆38Updated 5 months ago
- Analysis of contacts in molecular dynamics trajectories☆43Updated 5 years ago
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Updated 2 years ago
- Automated construction of protein chimeras and their analysis.☆15Updated last year
- A Rust implementation of the LightDock macromolecular docking software☆29Updated last year
- Some notes (cookbook) for pyMol. Protein Crystallography course.☆15Updated 4 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆44Updated 2 years ago
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 5 years ago
- Scores for Hydrophobicity and Charges based on SASAs☆36Updated 2 months ago
- A DDG benchmark capture containing the benchmark dataset and benchmarked protocol captures.☆17Updated 9 years ago
- Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic b…☆36Updated this week
- Web cards/apps describing peptides☆29Updated 2 years ago