NMR Services

• HADDOCK2.2 (Utrecht University)

Information driven biomolecular docking based on the HADDOCK software as described in

http://www.bonvinlab.org/software/haddock2.2/

Several access levels to the portal are provided exposing an increasing number of options / parameters:
• HADDOCK server: the Easy interface
• HADDOCK server: the Prediction interface
• HADDOCK server: the Expert interface (requires Expert level access)
• HADDOCK server: the Refinement interface (requires Expert level access)
• HADDOCK server: the Guru interface (requires Guru level access)
• HADDOCK server: the Multi-body interface (requires Guru level access)
• HADDOCK server: the File upload interface
• HADDOCK server tool: generate AIR files for multibody docking

• CS-ROSETTA3 (Utrecht University)

Chemical-shift based NMR structure calculations using Rosetta

• AMPS-NMR (CERM)

Molecular dynamics (MD) simulations on biological systems with AMBER, in particular (but not only) using NMR-derived information as restraints for MD.

• FANTEN (CERM)

FANTEN (Finding Anisotropy TENsor) is a new user-friendly web tool for the determination of the anisotropy tensors related to PCSs (pseudo-contact shifts) and RDCs (residual dipolar couplings).