On the use of conformationally dependent
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Frank A. Momany; Valentine J. Klimkowski; Lothar SchΓ€fer
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Article
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1990
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John Wiley and Sons
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English
β 805 KB
Previous 4-21G ab initio geometry optimizations of various conformations of the model dipeptides (N-acetyl "methyl amides) of glycine (GLY) and the alanine (ALA) have been used to help refine the empirical force constants and equilibrium geometry in the CHARMM force field for peptides. Conformationa