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HADDOCK v3.0.0-beta.1

Name: HADDOCK v3.0.0-beta.1
Keywords: haddock, bioexcel

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 30 May 2022Publisher:ZenodoFunded by:EC | BioExcel-2

Authors: João M.C. Teixeira; Brian Jiménez-García; Rodrigo Vargas Honorato; Marco Giulini; Alexandre Bonvin;

doi: 10.5281/zenodo.6593818 , 10.5281/zenodo.6593819

HADDOCK v3.0.0-beta.1

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Abstract

HADDOCK v3.0 is a bottom-up re-imagination of the long standing time-proven HADDOCK used for integrative modelling of biomolecular complexes which aims to modularize and extend HADDOCK's core functions. HADDOCK v3.0.0-beta.1 is a stable beta release of HADDOCK featuring fifteen different simulation and analysis modules divided into five categories: topology creation, sampling, refinement, scoring, and analysis. In addition, we provide sixteen different modelling workflows as examples of HADDOCK3 applications. This beta version has extensive developer documentation.

Related Organizations

Utrecht University
Netherlands

Keywords

haddock, bioexcel

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BioExcel-2 Deliverable D1.6 – Final project release
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