AstraZeneca / peptide-tools
Programs to calculate phys-chem properties of synthetic peptides and proteins: isoelectric point and extinction coefficients.
☆38Updated 2 weeks ago
Alternatives and similar repositories for peptide-tools:
Users that are interested in peptide-tools are comparing it to the libraries listed below
- Fully automated high-throughput MD pipeline☆60Updated this week
- Binding pocket optimization based on force fields and docking scoring functions☆31Updated last month
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆47Updated last week
- ☆27Updated last month
- ☆37Updated 5 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆44Updated this week
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆17Updated last year
- ☆31Updated last year
- Quick mapping of Uniprot sequences to PDB structures☆31Updated last month
- Computational Chemistry Workflows☆54Updated 2 years ago
- a tool for protein-ligand binding affinity prediction☆36Updated 2 years ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆33Updated 3 months ago
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆42Updated 3 months ago
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆19Updated 7 months ago
- ☆88Updated 2 months ago
- Experiments for the method comparison paper.☆28Updated 4 months ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated last year
- Cryptic pocket prediction using AlphaFold 2☆22Updated 2 years ago
- Ligand-Protein Interaction Mapping☆46Updated last week
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 3 years ago
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆44Updated 4 years ago
- ☆52Updated 2 months ago
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆38Updated last year
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆21Updated 2 weeks ago
- Introduction to cyclic peptide simulations and our group's protocols.☆11Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated 2 months ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆41Updated last month
- Scores for Hydrophobicity and Charges based on SASAs☆31Updated last month
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆21Updated 3 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated last week