A dependency-free cross-platform swiss army knife for PDB files.
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Updated
Apr 28, 2024 - Python
A dependency-free cross-platform swiss army knife for PDB files.
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
Calculation of interatomic interactions in molecular structures
The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websearches from within PyMOL as well as many other convienent functions that make work in PyMOL more productive..
Python package to manage protein structures and their annotations
Benchmarking common tasks on proteins in various languages and packages
PACKMAN: PACKing and Motion ANalysis
Software for detecting non-covalent interactions formed within complexes of nucleic acids with ligands.
Script to facilitate the making of horizontal scripts
Protein-Protein Docking using Genetic Algorithm
A Python framework for structural bioinformatics.
PointNet for Deep Rank: protein-protein interaction scoring using neural networks
A tool to visualise the results of AlphaFold2 and inspect the quality of structural predictions
Partner specific prediction of protein binding sites
The code from the paper "An automated protocol for modelling peptide substrates to proteases"
Visualizing the effect of SNPs on protein structure using iCn3D
collect statistics from the entire PDB library
MD-ligand-receptor is a bioinformatics pipeline written in Python for analyzing non-covalent ligand-receptor interactions in 3D structures starting from a molecular dynamic trajectory.
My bachelors thesis on predicting relative protein-protein binding affinity changes upon point mutations using graph neural networks.
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