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
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆14Updated 4 months ago
- ☆9Updated last year
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Updated this week
- Ligand binding site prediction and virtual screening☆12Updated 6 years ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆18Updated 3 weeks ago
- De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors☆18Updated 3 months ago
- Paper for release☆11Updated 3 years ago
- This repo contains the collection of codes to find designer interfacial mutations☆16Updated last year
- ☆10Updated 6 years ago
- ☆13Updated 6 years ago
- development repository for PyInteraph2☆22Updated 2 months ago
- Some scripts that I keep using over and over.☆18Updated last month
- GUI for interactive graph-based analyses of hydrogen bond networks in crystal structures and MD trajectories.☆9Updated last year
- De novo design of small molecule binding sites into proteins☆13Updated 3 years ago
- For the purpose of post progressing of MD carried by gromacs☆20Updated 10 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 4 months ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆13Updated 3 years ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆13Updated last year
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆19Updated 5 years ago
- PyMOL Plugin for displaying polar contacts☆17Updated 5 years ago
- WaterDock-2.0 implementation with Akshay Sridhar☆15Updated last year
- Protein-Ligand Interaction Fingerprints☆19Updated 4 years ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆26Updated 10 months ago
- ☆28Updated 9 months ago
- MEGADOCK on Google Colaboratory☆14Updated last year
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆18Updated last year
- Building and analyzing residue interaction networks with cofactors (includes tutorial).☆17Updated 3 years ago
- ☆28Updated last year
- Kinome-wide structural pocket similarity☆10Updated 2 years ago