Science: Chemistry: Nuclear Magnetic Resonance: Software: Structure Calculation Software

Ambiguous Restraints for Iterative Assignment; automated NOE assignment and NMR structure calculation.

A free Fortran suite of programs for structure refinement using direct NMR nOe restraints.

Molecular dynamics for the study of biomolecular systems, including the derivation of 3D molecular structure from NMR data.

A guide to use free available programs for the structure elucidation of proteins

is a FORTRAN program for calculating proton-proton distances from cross-peak intensities measured from a 2D NOE experiment.

analyzes 2D NMR NOESY data from oligonucleotides and proteins to evaluate cross-relaxation rates from which interproton distances are obtained

Develops and sells Computer Assisted Structure Eluicidation (CASE) programs to the pharmaceutical, biotech and chemical industries.

A program for predicting the magnitude and orientation of a sterically induced alignment tensor

A free Fortran molecular dynamics package with several NMR refinement options including using nOe data as a potential energy term.