julie-forman-kay-lab / IDPConformerGenerator
Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space
☆21Updated this week
Alternatives and similar repositories for IDPConformerGenerator:
Users that are interested in IDPConformerGenerator are comparing it to the libraries listed below
- A fast sampling and analysis tool for biomolecules☆15Updated 3 weeks ago
- ☆27Updated last year
- development repository for PyInteraph2☆22Updated 2 months ago
- Cryptic pocket prediction using AlphaFold 2☆22Updated 2 years ago
- Cloud-based Drug Binding Structure Prediction☆34Updated 3 weeks ago
- We provide a set of scripts to calculate native contacts from a MD. Native contacts are determined according to the overlap and rCSU appr…☆15Updated 7 months ago
- Tutorial to build AMBER compatable protein+lipid systems☆14Updated 7 years ago
- MMTSB Tool Set☆31Updated 3 months ago
- No description yet.☆13Updated 6 months ago
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆37Updated last week
- GaudiMM: A modular optimization platform for molecular design☆32Updated 9 months ago
- ☆28Updated last year
- Tools to build coarse grained models and perform simulations with OpenMM☆20Updated 2 years ago
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆26Updated 8 months ago
- A bridge between Biotite and OpenMM☆14Updated 8 months ago
- Software for the prediction of DEER and PRE data from conformational ensembles.☆12Updated 5 months ago
- ☆38Updated 2 months ago
- ☆18Updated 3 years ago
- LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories☆11Updated 2 years ago
- pKa estimates for proteins using an ensemble approach☆27Updated 4 months ago
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Updated this week
- ☆68Updated 7 months ago
- ☆32Updated 5 months ago
- An efficient approach to RMSD-Based HDBSCAN Clustering of long Molecular Dynamics☆15Updated 2 years ago
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆29Updated this week
- an ultra-fast and accurate program for deterministic protein sidechain packing☆29Updated 2 months ago
- Building and analyzing residue interaction networks with cofactors (includes tutorial).☆17Updated 3 years ago