haddocking / cyclic-peptides
Cyclic-peptide - protein complexes benchmark and associated scripts and data
☆11Updated 8 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:
- ☆31Updated last year
- ☆28Updated last month
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆21Updated this week
- Introduction to cyclic peptide simulations and our group's protocols.☆11Updated last year
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆12Updated 10 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 7 months ago
- ☆33Updated last month
- Binding pocket optimization based on force fields and docking scoring functions☆32Updated last month
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆18Updated 3 years ago
- ☆20Updated 2 years ago
- ☆42Updated this week
- scripts to find PBD structures for cancer driver proteins☆31Updated 2 months ago
- ☆23Updated 11 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆33Updated 2 weeks ago
- ☆23Updated last year
- Making Protein folding accessible to all!☆22Updated last year
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 3 years ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆17Updated last year
- Fully automated high-throughput MD pipeline☆60Updated last week
- Extension of ThermoMPNN for double mutant predictions☆32Updated 2 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆38Updated 3 weeks ago
- Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol☆31Updated last year
- Guiding diffusion models for antibody sequence and structure co-design with developability properties.☆33Updated 6 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 2 weeks ago
- CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning☆13Updated 9 months ago
- Use AutoDock for Ligand-based Virtual Screening☆21Updated 8 months ago
- Integrative modeling of PROTAC-mediated ternary complex☆26Updated 3 years ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated 11 months ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆20Updated last year
- ☆37Updated last year