Possible cage-like nanostructures formed by amino acids |
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Authors: | Wang Cui-hong Wu Qi Fan Wen-jie Zhang Rui-qin Lin Zijing |
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Institution: | Department of Physics and Materials Sciences, City University of Hong Kong, Hong Kong SAR, China. |
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Abstract: | We report possible cage-like nanostructures formed by a representative amino acid, serine octamers and decamers, determined by binding energy calculations and molecular dynamic simulations using the density functional tight-binding method. We used the l-handed serine to construct complex conformers linked by hydrogen bonds. We found the structures linked by -COOH···O=C- to be the most stable conformers and the calculation of the vibrational modes of complexes further illustrated this result. We attempted to apply our cage-like structures to the delivery of C(20) and cycloserine as model molecules. Our results may shed light on the design of cage-like biocompatible complexes for drug delivery. |
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