AMPS-NMR (AMBER-based Portal Server for NMR structures) is a web interface to set up and run calculations with the AMBER package. The interface allows the refinement of NMR structures of biological macromolecules through restrained Molecular Dynamics (rMD). Some predefined protocols are provided for this purpose, which can be personalized; it is also possible to create an entirely new protocol. AMPS-NMR can handle various restraint types. As an ancillary service, it provides access to a web interface to AnteChamber is available, enabling the calculation of force field parameters for organic molecules such as ligands in protein–ligand adducts.
The AMPS-NMR grid-enabled web server, originally developed under the WeNMR e-Infrastructure project (www.wenmr.eu) uses resources provided by the European Grid Initiative (EGI) and the associated National Grid Initiatives (NGIs).
Bertini I, Case DA, Ferella L, Giachetti A, Rosato A. A Grid-enabled web portal for NMR structure refinement with AMBER. Bioinformatics. 27:2384-2390, 2011
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