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Top 20 Directory:
Top : Science : Chemistry : Nuclear_Magnetic_Resonance : Software : Structure_Calculation_Software
Sites:
  • ARIA: Ambiguous Restraints for Iterative Assignment; automated NOE assignment and NMR structure calculation.
  • DINOSAUR: A free Fortran suite of programs for structure refinement using direct NMR nOe restraints.
  • GROMOS: Molecular dynamics for the study of biomolecular systems, including the derivation of 3D molecular structure from NMR data.
  • LinuxNMR: A guide to use free available programs for the structure elucidation of proteins
  • MORASS: analyzes 2D NMR NOESY data from oligonucleotides and proteins to evaluate cross-relaxation rates from which interproton distances are obtained
  • Spectrum Research, LLC.: Develops and sells Computer Assisted Structure Eluicidation (CASE) programs to the pharmaceutical, biotech and chemical industries.
  • SSIA - Simulation of Sterically Induced Alignment Tensor: A program for predicting the magnitude and orientation of a sterically induced alignment tensor
  • X-PLOR: A free Fortran molecular dynamics package with several NMR refinement options including using nOe data as a potential energy term.


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