ISSN:
0192-8651
Keywords:
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Computer Science
Notes:
Multidimensional conformational analysis (MDCA) predicted the existence of nine stable backbone conformations (αL, αD, βL, γL, γD, δL, δD, εL, and εD) on the 2D-Ramachandran map, E = E(φ, ψ), for a single amino acid diamide (HCONH-CHR-CONH2). The potential energy hypersurfaces (E = E[φ, ψ, χ1, χ2]) of For-L-Ser-NH2 associated with the αL-, bgr;L-, γL-, δL-, and εL-type stable backbone orientations are investigated in this article. An appropriate number of side-chain rotamers is associated with each of the backbone conformers. In the case of serine, where R = -CH2OH, the two sidechain torsional angles (χ1, χ2) should lead to 3 * 3 = 9 different sidechain orientations according to MDCA. For certain backbone structures, some of the sidechain conformations were nonexistent. © 1996 by John Wiley & Sons, Inc.
Additional Material:
6 Ill.
Type of Medium:
Electronic Resource
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