gersteinlab / STRESS
☆8Updated 6 years ago
Alternatives and similar repositories for STRESS:
Users that are interested in STRESS are comparing it to the libraries listed below
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Updated this week
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆18Updated 2 weeks ago
- ☆15Updated 6 years ago
- Ligand binding site prediction and virtual screening☆12Updated 6 years ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 6 months ago
- ☆10Updated 6 years ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆15Updated last year
- This repo contains the collection of codes to find designer interfacial mutations☆17Updated last year
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆19Updated 3 years ago
- ☆9Updated last year
- WaterDock-2.0 implementation with Akshay Sridhar☆15Updated last year
- ☆28Updated last year
- docking visualization with py3dmol and streamlit☆23Updated 4 years ago
- A web app to convert a PyMOL PSE file or PDB file to a easy to implement NGL.js view that can be implemented easily on any site☆12Updated 3 years ago
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Updated 2 years ago
- development repository for PyInteraph2☆22Updated 2 weeks ago
- Paper for release☆11Updated 3 years ago
- Collection of Python scripts to setup and run simulations with OpenMM☆16Updated 4 years ago
- An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM☆18Updated last month
- PCA and normal mode analysis of proteins☆17Updated 11 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆14Updated 11 months ago
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Updated 7 years ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- Protein-Ligand Interaction Fingerprints☆19Updated 4 years ago
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆12Updated 2 years ago
- ☆18Updated 5 years ago
- Python script that creates 2D protein-ligand interaction images☆14Updated 6 years ago
- Building and analyzing residue interaction networks with cofactors (includes tutorial).☆17Updated 4 years ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆20Updated last year
- For the purpose of post progressing of MD carried by gromacs☆21Updated 3 weeks ago