id author title date pages extension mime words sentences flesch summary cache txt cord-277716-6gsmkmk5 Doll, Tais A. P. F. Design and optimization of peptide nanoparticles 2015-10-24 .txt text/plain 5892 309 55 RESULTS: Here, we were studying in vitro and in silico the effect of the chain length and of point mutations near the linker region between the pentamer and the trimer on the self-assembly of the SAPNs. 60 identical peptide chains co-assemble to form a spherical nanoparticle displaying icosahedral symmetry. All these different mutants along with the initial parent peptide (Fig. 3) were studied by molecular dynamics (MD) simulations using the program CHARMM 36b1 in an attempt to further optimize the linker region and find the best peptide building block for the SAPNs. From the linker constitution study it was found that a malaria nanoparticle vaccine construct self-assembled into almost spherical nanoparticles [21] . Based on our construct design and the biophysical results of the 2.5HR we ran a series of molecular dynamics simulations on the eleven short versions of 2.5HR including only five helical turns (i.e. 2.5 heptad repeats) around the linker region of the nanoparticle peptide (Figs. ./cache/cord-277716-6gsmkmk5.txt ./txt/cord-277716-6gsmkmk5.txt