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Conformational Energy Calculations
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acetic acid aggregated alanine almost"-extended amide amino acid analysis anhydride aqueous solution bend conformation block copolymers BOC group bond angles CH3CO charged Chem chemical shifts circular dichroism cis and trans compound computed Conformational Energy Calculations conformational entropy cycles of minimization D,L-lysine dihedral angles dissolved in THF eluted end groups ester ether ethyl acetate experimental F.A. Momany Figure four tetrapeptides H.A. Scheraga half-sandwich homopolymers hydrogen bonds hydrolyzate Ingwall initiator interactions kcal/mole L-alanine L-phenylalanine lowest-energy Lys/Phe ratio lysine methanol-ether methyl groups minimum-energy conformations mole molecule N-acetylsarcosine n-hexylamine N-terminal NCA's Nuclear Magnetic Resonance observed obtained peaks peptide polymer polymerization precipitated protons reaction mixture residue was dissolved room temperature sarcosine sarcosylsarcosine sequence shown side-chain solvent was evaporated spectra spectrum starting conformations structural formula synthesis tetra tetrapeptide trans forms trans isomer values