haddocking Goto Github PK

3d-dart

Standalone code for 3D-DART (originally developed by Marc van Dijk)

3d-dart-server

3D-DART web server repository

ai-antibodies

arctic3d

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

binding-affinity-benchmark

Protein-protein binding affinity benchmark

bioexcel-io

BioExcel I/O benchmark

bm5-clean

Docking benchmark 5 - cleaned and ready to use for HADDOCK

capri51-target183

casp-capri-t70-tutorial

contact-filtering

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

cport

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

cport-data

cyclic-peptides

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

d3r-tools

A collection of scripts of data relating to the D3R Grand Challenge competitons

dacum

The Database of binding Affinity Change Upon Mutations in protein complexes

deeprank-gnn-esm

Graph Network for protein-protein interface including language model features

disvis

Visualisation of conformational space restriction by distance restraints

dna-ligand-benchmark

DNA - ligand docking benchmark and associated scripts

edes

fandas

Repository of the FANDAS code for prediction ssNMR spectra from structure

fcc

Fraction of Common Contacts Clustering Algorithm for Protein Structures

glycan-docking-benchmark

A protein-glycan benchmark, ready for use with HADDOCK

haddock-antibody-antigen

Material to run the HADDOCK antibody-antigen modelling protocol

haddock-binding-sites-tutorial

haddock-pilot

HADDOCK pilot machinery for running on HPC systems

haddock-runner

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

haddock-tools

Set of useful HADDOCK utility scripts

haddock24-json-editor

haddock24-protocol

Data for performing HADDOCK2.4 protocols

haddock2mmcif

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