Steered molecular dynamics studies of the potential of mean force for peptide amphiphile self-assembly into cylindrical nanofibers

Steered molecular dynamics studies of the potential of mean force for peptide amphiphile self-assembly into cylindrical nanofibers

T Yu, OS Lee, GC Schatz - The Journal of Physical Chemistry A, 2013 - ACS Publications

Steered molecular dynamics (SMD) simulations were applied to determine the potential of
mean force for the self-assembly of peptide amphiphile (PA) nanofibers, specifically
considering a single PA adding to a growing cylindrical nanofiber at 310 K. It is found that

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