The HADDOCK2.2 Web Server: User-Friendly Integrative Modeling of Biomolecular Complexes

TLDR

Predicting the quaternary structure of biomolecular macromolecules is crucial for understanding cellular processes and drug design, and integrative structural biology enhances accuracy by incorporating experimental or predictive data, a principle central to the HADDOCK docking approach. The authors introduce HADDOCK2.2, an updated portal that adds support for mixed molecule types, new experimental restraints, and improved protocols within a user‑friendly interface. HADDOCK2.2 implements an information‑driven docking workflow that integrates diverse restraints and protocols to model biomolecular complexes. The portal has served over 108,000 jobs for more than 6,000 registered users, many on grid resources, indicating its widespread adoption and potential to advance biological research. The HADDOCK2.2 Web server is freely available to non‑profit users at http://haddock.science.uu.nl/services/HADDOCK2.2.

Abstract

The prediction of the quaternary structure of biomolecular macromolecules is of paramount importance for fundamental understanding of cellular processes and drug design. In the era of integrative structural biology, one way of increasing the accuracy of modeling methods used to predict the structure of biomolecular complexes is to include as much experimental or predictive information as possible in the process. This has been at the core of our information-driven docking approach HADDOCK. We present here the updated version 2.2 of the HADDOCK portal, which offers new features such as support for mixed molecule types, additional experimental restraints and improved protocols, all of this in a user-friendly interface. With well over 6000 registered users and 108,000 jobs served, an increasing fraction of which on grid resources, we hope that this timely upgrade will help the community to solve important biological questions and further advance the field. The HADDOCK2.2 Web server is freely accessible to non-profit users at http://haddock.science.uu.nl/services/HADDOCK2.2.