Assembly of a Diphenylalanine Peptide Nanotube by Molecular Dynamics Methods

The paper develops an approach to modeling the processes of self-assembly complex molecular nanostructures by dynamics methods using a manipulator. Previously, this was considered example assembling phenylalanine helical nanotube from linear set chains (F) molecules different chirality: left-handed L-F and right-handed D-F chirality L-FF D-FF. process dipeptide into structures nanotubes is imitation applying certain forces existing initial structure in order obtain final same chemical composition, but with geometry. PUMA-CUDA simulation software package used as main software. Using tool, one can investigate formation sequence any amino acids. A comparative analysis obtained their experimental performed method visual differential analysis. It has been established that data correspond law sign change complication hierarchical level organization.