「Biophysics and Physicobiology」にNobuyuki Matubayasi et al. “Energetics of cosolvent effect on peptide aggregation”を掲載

2019 November 29 BPPB

日本生物物理学会欧文誌[Biophysics and Physicobiology]に以下の論文が新規掲載されました。

Nobuyuki Matubayasi, Keiichi Masutani “Energetics of cosolvent effect on peptide aggregation”

Energetics of cosolvent effect on peptide aggregation

The cosolvent effect on peptide aggregation is addressed with all-atom molecular dynamics simulation and freeenergy calculation. It is shown from the variational principle that the stability of a flexible solute species is modulated by a cosolvent through the solvation free energy averaged over the solute structures. The computational analyses are conducted for an 11-residue peptide, and the solvation free energies of the peptide and its aggregates are obtained with the energy-representation method of solutions. It is demonstrated quantitatively that urea and DMSO inhibit the aggregation since these cosolvents stabilize the monomer more strongly than the aggregates.

Biophysics and Physicobiology, Vol.16, 185-195


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