atommoyer / stapler
A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins
☆17Updated 9 months ago
Related projects ⓘ
Alternatives and complementary repositories for stapler
- Binding pocket optimization based on force fields and docking scoring functions☆30Updated 2 weeks ago
- PyDock Tutorial☆30Updated 6 years ago
- ☆42Updated 4 months ago
- An open-source library for the analysis of protein interactions.☆29Updated 2 years ago
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆16Updated 3 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆27Updated 7 months ago
- ☆16Updated 6 months ago
- ☆35Updated 10 months ago
- Making Protein folding accessible to all!☆18Updated 10 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆37Updated 6 months ago
- ☆31Updated 7 months ago
- ☆24Updated last year
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆38Updated last week
- Automated construction of protein chimeras and their analysis.☆15Updated last year
- AlphaFold-initiated replica exchange protein docking☆45Updated 3 months ago
- ☆62Updated 4 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆24Updated last month
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆52Updated 3 weeks ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆15Updated 4 months ago
- ☆12Updated last year
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆25Updated 4 months ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆24Updated 7 months ago
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆60Updated 2 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆23Updated 2 months ago
- ML-optimized library design with improved fitness and diversity for protein engineering☆23Updated 3 months ago
- Modelling protein conformational landscape with Alphafold☆34Updated last month
- scripts to find PBD structures for cancer driver proteins☆29Updated 8 months ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆26Updated 3 years ago