haddocking / cyclic-peptidesLinks
Cyclic-peptide - protein complexes benchmark and associated scripts and data
☆11Updated 9 months ago
Alternatives and similar repositories for cyclic-peptides
Users that are interested in cyclic-peptides are comparing it to the libraries listed below
Sorting:
- ☆32Updated last year
- ☆35Updated 2 months ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 3 years ago
- ☆20Updated 2 years ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 3 months ago
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆18Updated 3 years ago
- ☆45Updated 3 weeks ago
- ☆35Updated 2 months ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆39Updated 3 weeks ago
- Introduction to cyclic peptide simulations and our group's protocols.☆11Updated last year
- ☆33Updated last year
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆13Updated 10 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 2 weeks ago
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 2 months ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆22Updated 3 weeks ago
- Integrative modeling of PROTAC-mediated ternary complex☆27Updated 3 years ago
- Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol☆31Updated last year
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆27Updated 4 months ago
- Fully automated high-throughput MD pipeline☆60Updated 3 weeks ago
- Structure prediction and design of proteins with noncanonical amino acids☆54Updated this week
- ☆40Updated last year
- ☆32Updated last week
- Scores for Hydrophobicity and Charges based on SASAs☆31Updated 2 months ago
- A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations☆12Updated 2 years ago
- Use AutoDock for Ligand-based Virtual Screening☆21Updated 9 months ago
- Cryptic pocket prediction using AlphaFold 2☆22Updated 2 years ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆54Updated last month
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆28Updated 2 years ago
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆18Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 7 months ago