16 citations · 55 across the 5 of their papers we have counts for
5 papers
Conformation of ultra-long-chain fatty acid in lipid bilayer: Molecular dynamics study
Kazutomo Kawaguchi, Koh M. Nakagawa, Satoshi Nakagawa +3
Ultra-long-chain fatty acids (ULCFAs) are biosynthesized in the restricted tissues such as retina, testis, and skin. The conformation of a single ULCFA, in which the sn-1 unsaturat…
SIMD Vectorization for the Lennard-Jones Potential with AVX2 and AVX-512 instructions
Hiroshi Watanabe, Koh M. Nakagawa
This work describes the SIMD vectorization of the force calculation of the Lennard-Jones potential with Intel AVX2 and AVX-512 instruction sets. Since the force-calculation kernel…
Bilayer sheet protrusions and budding from bilayer membranes induced by hydrolysis and condensation reactions
Koh M. Nakagawa, Hiroshi Noguchi
Shape transformations of flat bilayer membranes and vesicles induced by hydrolysis and condensation reactions of amphiphilic molecules are studied using coarse-grained molecular dy…
Non-uniqueness of local stress of three-body potentials in molecular simulations
Koh M. Nakagawa, Hiroshi Noguchi
Microscopic stress fields are widely used in molecular simulations to understand mechanical behavior. Recently, decomposition methods of multibody forces to central force pairs bet…
Morphological changes of amphiphilic molecular assemblies induced by chemical reaction
Koh M. Nakagawa, Hiroshi Noguchi
Shape transformations of amphiphilic molecular assemblies induced by chemical reaction are studied using coarse-grained molecular simulations. A binding reaction between hydrophili…