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    Springer
    Journal of mathematical chemistry 8 (1991), S. 217-227 
    ISSN: 1572-8897
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mathematics
    Notes: Abstract A systematic analysis is presented of the algorithm for convering a virtual-bond chain, defined by the coordinates of theα-carbons of a given protein, into a complete polypeptide backbone. An alternative algorithm, based upon the same set of geometric parameters used in the Purisima-Scheraga algorithm [1] but with a different “linkage map” of the algorithmic procedures, is proposed. The global virtual-bond chain geometric constraints are more easily separable from the loal peptide geometric and energetic constraints derived from, for example. the Ramachandran criterion [2, 3], within the framework of this approach.
    Type of Medium: Electronic Resource
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