Determination of stereospecific assignments, torsion-angle constraints, and rotamer populations in proteins using the program AngleSearch
VI Polshakov, TA Frenkiel, B Birdsall, A Soteriou… - Journal of Magnetic …, 1995 - Elsevier
A general program, AngleSearch, which calculates coupling constants and interproton
distances for any molecular fragment and does a grid search to find torsion angles, rotamer
populations, and stereospecific assignments which fit the measured data has been
developed. The program takes full advantage of the fact that ratios of cross-peak intensities
(measured in HNHB and HN (CO) HB experiments) can provide accurate ratios of coupling
constants even for large molecules, AngleSearch is capable of:(a) analyzing any type of …
distances for any molecular fragment and does a grid search to find torsion angles, rotamer
populations, and stereospecific assignments which fit the measured data has been
developed. The program takes full advantage of the fact that ratios of cross-peak intensities
(measured in HNHB and HN (CO) HB experiments) can provide accurate ratios of coupling
constants even for large molecules, AngleSearch is capable of:(a) analyzing any type of …
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