Chinese Journal of Magnetic Resonance ›› 1997, Vol. 14 ›› Issue (1): 37-43.
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Liu Weidong, Pei Fengkui
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Abstract: Metric Matrix Distance Geometry is an algorithm used in the three dimensional structure calculation of macromolecule. In this paper, its theory and application was discussed, the original SYBYL procedures were modified using SPL language. Comparison was made for the results of our experiment with DIANA and DISGEO. Besides, a proposal about the triangular constraint rule was proposed.
Key words: Distance geometry, Triangular constraint, DIANA, MAXIMIN2, DISGEO
Liu Weidong, Pei Fengkui. DISTANCE GEOMETRY APPLIED IN THE THREE DIMENSIONAL STRUCTURE CALCULATION OF POLYPEPTIDE IN AQUEOUS[J]. Chinese Journal of Magnetic Resonance, 1997, 14(1): 37-43.
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