choderalab / antibody-mutations
Assessing the impact of mutations on antibody-antigen binding affinity
☆17Updated 4 years ago
Alternatives and similar repositories for antibody-mutations:
Users that are interested in antibody-mutations are comparing it to the libraries listed below
- ☆33Updated 9 months ago
- ☆27Updated last year
- scripts to find PBD structures for cancer driver proteins☆29Updated 2 weeks ago
- Subpocket-based fingerprint for kinase pocket comparison☆32Updated last year
- Some scripts that I keep using over and over.☆18Updated last month
- Cryptic pocket prediction using AlphaFold 2☆22Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 3 months ago
- development repository for PyInteraph2☆22Updated 2 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆30Updated last month
- ☆29Updated last year
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆14Updated 3 months ago
- ☆24Updated 5 months ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 3 years ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆23Updated last year
- This repository contains code for the paper: "Tertiary motifs as building blocks for the design of protein-binding peptides"☆15Updated last year
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆13Updated 3 years ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆12Updated last year
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆18Updated last year
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆44Updated 3 years ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 2 years ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆24Updated 2 weeks ago
- Cloud-based Drug Binding Structure Prediction☆34Updated last week
- Bioinformatics and Cheminformatics protocols for peptide analysis☆37Updated 2 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆27Updated 9 months ago
- Modelling protein conformational landscape with Alphafold☆37Updated last week
- Material to run the HADDOCK antibody-antigen modelling protocol☆22Updated last year
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆26Updated 9 months ago
- Tutorial to build AMBER compatable protein+lipid systems☆14Updated 7 years ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year