HADDOCK

pdb-tools

A dependency-free cross-platform swiss army knife for PDB files.

prodigy

Predict the binding affinity of protein-protein complexes from structural data

haddock3

Official repo of the modular BioExcel version of HADDOCK

haddock-tools

Set of useful HADDOCK utility scripts

arctic3d

Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information

powerfit

Rigid body fitting of atomic strucures in cryo-electron microscopy density maps

HADDOCK-antibody-antigen

Material to run the HADDOCK antibody-antigen modelling protocol

haddocking.github.io

Webpage of the Bonvinlab @ Utrecht University and HADDOCK software

BM5-clean

Docking benchmark 5 - cleaned and ready to use for HADDOCK

prodigy-lig

Prediction of Protein-Small molecule binding affinities

molmod-data

Data files for the molecular modelling course

disvis

Visualisation of conformational space restriction by distance restraints

prodigy-cryst

Contacts-based classifier of biological and crystallographic interfaces

cyclic-peptides

Cyclic-peptide - protein complexes benchmark and associated scripts and data

DeepRank-GNN-esm

Graph Network for protein-protein interface including language model features

whiscy

Bioinformatic tool to predict structural protein-protein interfaces

ai-antibodies

CASP-CAPRI-T70-tutorial

cport

CPORT is a Consensus Prediction Of interface Residues in Transient complexes used to predict protein-protein interface residues.

fandas

Repository of the FANDAS code for prediction ssNMR spectra from structure

haddock-mmcif

Encode information from a HADDOCK run to a cif file to be deposited in PDB-Dev.

haddock-runner

Run large scale HADDOCK simulations using multiple input molecules in different scenarios

contact-filtering

DisVis-based filtering of contacts from co-evolution data (or other sources)

haddock-restraints

Generate restraints to be used in HADDOCK

.github

cport-data

haddock24-protocol

Data for performing HADDOCK2.4 protocols

interactome-dataset

proABC-2

Deep learning framework to predict antibody paratope residues

RNA-Pol-III-2022

Data for the RNA-Pol-III tutorial from bonvinlab.org