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An algorithm for converting a virtual-bond chain into a complete polypeptide backbone chainA systematic analysis is presented of the algorithm for converting a virtual-bond chain, defined by the coordinates of the alpha-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 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, within the framework of this approach.
Document ID
20040090183
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Luo, N.
(Roswell Park Memorial Institute Buffalo, NY 14263, United States)
Shibata, M.
Rein, R.
Date Acquired
August 21, 2013
Publication Date
January 1, 1991
Publication Information
Publication: Journal of mathematical chemistry
Volume: 8
ISSN: 0259-9791
Subject Category
Exobiology
Funding Number(s)
CONTRACT_GRANT: CA46838
CONTRACT_GRANT: NSG-7305
Distribution Limits
Public
Copyright
Other
Keywords
NASA Discipline Exobiology
Non-NASA Center
NASA Discipline Number 52-20
NASA Program Exobiology

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