A dipeptide nanotube, composed of 2,000 diphenylalanine molecules, is optimized under a two-dimensional lattice wrapping system (see Tsai et al) with an all-atom force field. The constructed tube can be used as a foundation for building an atomic model with the tube geometry observed experimentally.
Image Credit: Image created by Chung-Jung Tsai with graphics software, BioChem.
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Practical Strategies for Discovering Regulatory DNA Sequence Motifs
PLOS Computational Biology: published April 28, 2006 | https://doi.org/10.1371/journal.pcbi.0020036
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