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Wataru Shinoda
Researcher at Nagoya University
Publications - 153
Citations - 6919
Wataru Shinoda is an academic researcher from Nagoya University. The author has contributed to research in topics: Lipid bilayer & Membrane. The author has an hindex of 40, co-authored 142 publications receiving 5877 citations. Previous affiliations of Wataru Shinoda include National Institute of Advanced Industrial Science and Technology & University of Pennsylvania.
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Rapid estimation of elastic constants by molecular dynamics simulation under constant stress
TL;DR: In this article, an efficient simulation approach under constant external stress and temperature, modifying Parrinello-Rahman (PR) method using useful sampling techniques developed recently, such as massive Nos\'e-Hoover chain method and hybrid Monte Carlo method, was proposed.
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Multi-property fitting and parameterization of a coarse grained model for aqueous surfactants
TL;DR: In this paper, the intramolecular bond potentials are determined to reproduce the bond and angle distributions obtained from all-atom (AA) molecular dynamics simulations, and a step-by-step approach using several molecular systems for parameterization makes the CG model versatile and transferable.
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Large-scale molecular dynamics simulations of self-assembling systems.
Michael L. Klein,Wataru Shinoda +1 more
TL;DR: This Perspective focuses on the use of classical molecular dynamics and so-called coarse-grain models to explore phenomena involving self-assembly in complex fluids and biological systems.
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Zwitterionic Lipid Assemblies: Molecular Dynamics Studies of Monolayers, Bilayers, and Vesicles Using a New Coarse Grain Force Field
TL;DR: A new coarse-grained (CG) intermolecular force field is presented for a series of zwitterionic lipids and successfully observed vesicle formation during CG-MD simulations, starting from an aggregate of dimyristoyl phosphatidylcholine (DMPC) molecules.
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Coarse-grained molecular modeling of non-ionic surfactant self-assembly
TL;DR: In this article, a coarse-grained (CG) molecular model for nonionic surfactants is presented, which is designed to reproduce several key properties including surface/interfacial tension, bulk density, compressibility, hydration/transfer free energy as well as distribution functions obtained by all-atom molecular dynamics simulations.