「Biophysics and Physicobiology」にYutaka Maruyama et al. “Analysis of molecular dynamics simulations of 10-residue peptide, chignolin, using statistical mechanics: Relaxation mode analysis and three-dimensional reference interaction site model theory”を掲載

2019年11月29日 学会誌

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。

Yutaka Maruyama, Hiroshi Takano, Ayori Mitsutake “Analysis of molecular dynamics simulations of 10-residue peptide, chignolin, using statistical mechanics: Relaxation mode analysis and three-dimensional reference interaction site model theory”

【Significance】
Analysis of protein simulations, RMA, and 3D-RISM

It is important to develop analysis methods for molecular simulations of protein systems. We have developed relaxation mode analysis to investigate dynamics and kinetics of simulations. We also have applied the three-dimensional reference interaction site model theory to investigate stability with solvent effects. Here, we review the results for designing amino-acid substitution of 10-residue peptide, chignolin, to stabilize the misfolded structure using these analysis methods based on statistical mechanics.

Biophysics and Physicobiology, Vol.16, 407-429

URL: https://doi.org/10.2142/biophysico.16.0_407

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