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	STUDIA CHEMIA - Issue no. 3 / 2010

	Article:	PM6 MODELING OF ALPHA HELICAL POLYPEPTIDE STRUCTURES. Authors: ATTILA-ZSOLT KUN, ALEXANDRU LUPAN, RADU SILAGHI-DUMITRESCU.


	Abstract: This paper presents a computational study of an alpha-Gly₁₀ polypeptide (neutral and zwitterionic) using the PM6 semiempirical method and its variants implemented in Mopac2009 program. Statistical correlations with high level computational methods are discussed in all cases. Keywords: glycine, alpha-helix, PM6, semiempirical calculation, optimization




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