haddocking / cyclic-peptidesLinks
Cyclic-peptide - protein complexes benchmark and associated scripts and data
☆13Updated last year
Alternatives and similar repositories for cyclic-peptides
Users that are interested in cyclic-peptides are comparing it to the libraries listed below
Sorting:
- ☆53Updated 7 months ago
- ☆36Updated 2 years ago
- ☆40Updated 7 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 8 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆35Updated last month
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- ☆32Updated 2 years ago
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆19Updated 4 years ago
- ☆69Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated this week
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆29Updated 11 months ago
- ☆52Updated 6 months ago
- Fully automated high-throughput MD pipeline☆84Updated 2 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆39Updated 5 months ago
- ☆33Updated last year
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆43Updated last week
- Fragment-based Molecular Expansion☆25Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆59Updated last month
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆117Updated last week
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆30Updated last month
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆84Updated last month
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆37Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆43Updated 5 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- ☆21Updated 2 years ago
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆60Updated 11 months ago
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆16Updated last year
- CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning☆20Updated last year
- ☆31Updated 2 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆40Updated 2 weeks ago