NRGlab / Surfaces
☆11Updated 3 months ago
Related projects: ⓘ
- Some scripts that I keep using over and over.☆17Updated 6 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆12Updated 5 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆23Updated this week
- This repository contains code for the paper: "Tertiary motifs as building blocks for the design of protein-binding peptides"☆15Updated 8 months ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆23Updated 10 months ago
- development repository for PyInteraph2☆21Updated last year
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆23Updated 5 months ago
- scripts to find PBD structures for cancer driver proteins☆29Updated 6 months ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆11Updated 10 months ago
- a fast and accurate physical energy function extended from EvoEF for protein sequence design☆24Updated last year
- ☆34Updated 6 months ago
- ☆9Updated last year
- ☆24Updated 9 months ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆16Updated last month
- Code for deep learning guided design of dynamic proteins☆16Updated 2 months ago
- This repo contains the collection of codes to find designer interfacial mutations☆16Updated last year
- Code for designing binders to flexible peptides with AlphaFold2 Hallucination☆13Updated 8 months ago
- ☆17Updated 4 months ago
- ☆16Updated 2 years ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆23Updated 7 months ago
- ☆18Updated 5 months ago
- ☆24Updated last month
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆26Updated 2 weeks ago
- Scores for Hydrophobicity and Charges based on SASAs☆20Updated this week
- This repository contains a set of scripts for performing singular value decomposition on protein multiple sequence alignments, and analyz…☆11Updated last month
- Identifying peptide-receptor interactions using AlphaFold-Multimer☆18Updated last year
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Updated last year
- MEGADOCK on Google Colaboratory☆14Updated 11 months ago
- ☆14Updated last month
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆27Updated 2 weeks ago