Conformational Analysis of Homooligopeptides Prepared From Isovaline and Diethylglycine : Molecular Mechanics Study
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概要
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Conformational energy computations on homopeptides of (S)-isovaline and diethylglycine were performed using molecular mechanics on MacroModel®. Calculations of conformational search were carried out with Monte Carlo method. When AMBER* was used as force field, it was found that global minimum energy conformations were 3<SUB>10</SUB>-helix. These results are in agreement with their reported conformational properties in the solid state, determined by X-ray crystallographic analysis. In the case of MMFF force field the global minimum of diethylglycine peptide is planar structure, which is agreement with its conformation in solution.
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