Software developed at the NMR Spectroscopy Research Department
The NMR Spectroscopy Research Department is activly involved in the development of software that aids in the study
of biomolecular structures. The list below provides and overview of available software with a link for more information.
Software
HADDOCK: HADDOCK (High Ambiguity Driven protein–protein DOCKing) is an information-driven flexible docking
approach for the modelling of biomolecular complexes.
WHISCKY: a program to predict protein-protein interfaces.
3D-DART: 3DNA driven - DNA Analysis And Rebuilding Tools
IRMA: The IRMA procedure calculates distances from experimental NOE spectra with the use of the full relaxation matrix
approach.
DINOSAUR: A set of programs for structure refinement using direct NOE restraints.
MONTY: A Monte Carlo method is described for automated docking of proteins on DNA.
AQUA: A suite of programs for Analyzing the QUAlity of biomolecular structures that were determined via
NMR spectroscopy.
TRITON: A suite of programs for processing 2D and 3D NMR data.
PROXIES: Direct use of unassigned resonances in NMR structure calculations
Protein-DNA benchamrk: a set of 47 protein-DNA test-cases for comparison and further development of protein-DNA
docking methods.