Theory of the non-planar peptide unit

Ramachandran, G. N. ; Lakshminarayanan, A. V. ; Kolaskar, A. S. (1973) Theory of the non-planar peptide unit Biochimica et Biophysica Acta (BBA) - Protein Structure, 303 (1). pp. 8-13. ISSN 0005-2795

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By means of CNDO/2 calculations on N-methyl acetamide, it is shown that the state of minimum energy of the trans-peptide unit is a non-planar conformation, with the NH and NC2α bonds being significantly out of the plane formed by the atoms C1α, C', O and N.

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Deposited On:01 Apr 2011 13:45
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