vmullig / ndm1_design_scriptsLinks
Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1
☆19Updated 4 years ago
Alternatives and similar repositories for ndm1_design_scripts
Users that are interested in ndm1_design_scripts are comparing it to the libraries listed below
Sorting:
- Analysis of contacts in molecular dynamics trajectories☆43Updated 5 years ago
- Scores for Hydrophobicity and Charges based on SASAs☆36Updated 2 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated last month
- Structure prediction and design of proteins with noncanonical amino acids☆88Updated 3 weeks ago
- Cyclic-peptide - protein complexes benchmark and associated scripts and data☆12Updated 11 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆27Updated 6 months ago
- PyDock Tutorial☆33Updated 7 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 5 months ago
- Code for designing binders to flexible peptides with AlphaFold2 Hallucination☆28Updated last year
- ☆33Updated last year
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆41Updated last month
- ☆51Updated 2 years ago
- Fully automated high-throughput MD pipeline☆69Updated this week
- Universal framework for physically based computational protein design☆35Updated 2 years ago
- Making Protein folding accessible to all!☆22Updated last year
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Updated 4 years ago
- code for IDR binding paper 2025☆47Updated 6 months ago
- ☆33Updated 2 years ago
- A bundle of deep-learning packages for biomolecular structure prediction and design contributed to the Rosetta Commons☆35Updated 2 years ago
- iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machi…☆31Updated 3 years ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- Computer aided proximal decaging as a universal strategy for temporal protein activation☆24Updated 3 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆70Updated 3 weeks ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated last year
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆37Updated last month
- De novo design of small molecule binding sites into proteins☆12Updated 4 years ago
- A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins☆22Updated last year
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆72Updated 4 months ago
- PyPEF – Pythonic Protein Engineering Framework☆24Updated 3 months ago
- Some Rosetta Scripts that allow for various simple tasks☆14Updated 5 years ago