All Stories

  1. Effective interaction between small unilamellar vesicles as probed by coarse-grained molecular dynamics simulations
  2. Free energy analysis along the stalk mechanism of membrane fusion
  3. Interactions in ion pairs of protic ionic liquids: Comparison with aprotic ionic liquids
  4. A guiding potential method for evaluating the bending rigidity of tensionless lipid membranes from molecular simulation
  5. Intermolecular Interactions in Li+‐glyme and Li+‐glyme–TFSA− Complexes: Relationship with Physicochemical Properties of [Li(glyme)][TFSA] Ionic Liquids
  6. Method of evaluating curvature-dependent elastic parameters for small unilamellar vesicles using molecular dynamics trajectory
  7. Regioselective Recognition of a [60]Fullerene-Bisadduct by Cyclodextrin
  8. Effect of different substituents on the water-solubility and stability properties of 1 : 2 [60]fullerene derivative·gamma-cyclodextrin complexes
  9. Probing the structure of PEGylated-lipid assemblies by coarse-grained molecular dynamics
  10. Computer Simulation of Self-Assembling Macromolecules
  11. Effect of Carboxylation on Carbon Nanotube Aqueous Dispersibility: A Predictive Coarse-Grained Molecular Dynamics Approach
  12. Molecular Dynamics Study of Catanionic Bilayers Composed of Ion Pair Amphiphile with Double-Tailed Cationic Surfactant
  13. Computer simulation studies of self-assembling macromolecules
  14. Premicelles and monomer exchange in aqueous surfactant solutions above and below the critical micelle concentration
  15. Effects of spherical fullerene nanoparticles on a dipalmitoyl phosphatidylcholine lipid monolayer: a coarse grain molecular dynamics approach
  16. Cholesterol Effect on Water Permeability through DPPC and PSM Lipid Bilayers: A Molecular Dynamics Study
  17. Micellization Studied by GPU-Accelerated Coarse-Grained Molecular Dynamics
  18. Novel numerical method for calculating the pressure tensor in spherical coordinates for molecular systems
  19. ChemInform Abstract: Molecular Dynamics Study of Isoprenoid‐Chained Lipids: Salient Features of Isoprenoid Chains as Compared with Ordinary Alkyl Chains
  20. Development of a Coarse-Grained Model for the Surfactant Family of Linear Alkylbenzene Sulfonates
  21. Effects of conformational flexibility of alkyl chains of cations on diffusion of ions in ionic liquids
  22. Free energy analysis of vesicle-to-bicelle transformation
  23. 脂質膜・リポソームの分子シミュレーション
  24. Coarse-grained force field for ionic surfactants
  25. Nanoscale carbon particles and the stability of lipid bilayers
  26. Molecular dynamics study of nanoparticles and non-ionic surfactant at an oil–water interface
  27. Molecular Dynamics Simulations of Nanoparticles and Surfactants at Oil/Water Interfaces
  28. Parametrization and Application of a Coarse Grained Force Field for Benzene/Fullerene Interactions with Lipids
  29. Molecular Dynamics Study of Isoprenoid‐Chained Lipids: Salient Features of Isoprenoid Chains As Compared with Ordinary Alkyl Chains
  30. Interactions of Perfluoroalkyltrifluoroborate Anions with Li Ion and Imidazolium Cation: Effects of Perfluoroalkyl Chain on Motion of Ions in Ionic Liquids
  31. Exploring the utility of coarse-grained water models for computational studies of interfacial systems
  32. Zwitterionic Lipid Assemblies: Molecular Dynamics Studies of Monolayers, Bilayers, and Vesicles Using a New Coarse Grain Force Field
  33. Coarse-Grained Potential Models for Phenyl-Based Molecules: I. Parametrization Using Experimental Data
  34. Coarse-Grained Potential Models for Phenyl-Based Molecules: II. Application to Fullerenes
  35. A mean field approach for computing solid-liquid surface tension for nanoscale interfaces
  36. Paramaterization of a coarse-grained model for linear alkylbenzene sulfonate surfactants and molecular dynamics studies of their self-assembly in aqueous solution
  37. The shear hysteresis in lamellar structure of surfactant–water binary system
  38. 粗視化モデルによる両親媒性分子の自己組織化構造解析
  39. Size-dependent hydrophobic to hydrophilic transition for nanoparticles: A molecular dynamics study
  40. Transferable Coarse Grain Nonbonded Interaction Model for Amino Acids
  41. Molecular Dynamics Simulations of Ionic Liquids: Cation and Anion Dependence of Self-Diffusion Coefficients of Ions
  42. Models for Phosphatidylglycerol Lipids Put to a Structural Test
  43. Computational exploration of novel silicon nanostructures
  44. Area per Ligand as a Function of Nanoparticle Radius: A Theoretical and Computer Simulation Approach
  45. Fluorination effects on structure and dynamics of phospholipid bilayer: A molecular dynamics study
  46. Self-Assembly of Surfactants in Bulk Phases and at Interfaces Using Coarse-Grain Models
  47. Enhanced Hydrophobicity of Fluorinated Lipid Bilayer: A Molecular Dynamics Study
  48. Calculating the surface tension between a flat solid and a liquid: a theoretical and computer simulation study of three topologically different methods
  49. Efficient free energy calculation of water across lipid membranes
  50. Free-energy analysis of the molecular binding into lipid membrane with the method of energy representation
  51. United-Atom Acyl Chains for CHARMM Phospholipids
  52. Electronic and optical properties of polyicosahedral Si nanostructures: A first-principles study
  53. Coarse-grained molecular modeling of non-ionic surfactant self-assembly
  54. Molecular dynamics simulation of an archaeal lipid bilayer with sodium chloride
  55. Molecular dynamics simulations of self-organized polyicosahedral Si nanowire
  56. Molecular dynamics simulation of icosahedral Si quantum dot formation from liquid droplets
  57. Molecular Dynamics Study of Bipolar Tetraether Lipid Membranes
  58. Intermolecular interaction between the pendant chain of perfluorinated ionomer and methanol
  59. Calculation of heat capacities of light and heavy water by path-integral molecular dynamics
  60. Molecular Dynamics Study of the Methanol Effect on the Membrane Morphology of Perfluorosulfonic Ionomers
  61. Quantum simulation of the heat capacity of water
  62. Spatial confinement effect on the atomic structure of solid argon
  63. Molecular Dynamics Simulation of Swollen Membrane of Perfluorinated Ionomer
  64. Comparative molecular dynamics study of ether- and ester-linked phospholipid bilayers
  65. Can such Long Time Steps Really be used in Dissipative Particle Dynamics Simulations?
  66. Stress-assisted grain boundary sliding and migration at finite temperature: A molecular dynamics study
  67. Two-dimensional self-assembled structures of adenine molecules: modeling and simulation
  68. Dynamics of a highly branched lipid bilayer: a molecular dynamics study
  69. Rapid estimation of elastic constants by molecular dynamics simulation under constant stress
  70. Intermolecular interaction between the pendant chain of perfluorinated ionomer and water
  71. 計算機科学から生体膜研究へのアプローチ 脂質膜の構造安定性と透過性の分子動力学シミュレーションによる予測
  72. Molecular Dynamics Study on the Effect of Chain Branching on the Physical Properties of Lipid Bilayers:  Structural Stability
  73. Rigid‐body dynamics in the isothermal‐isobaric ensemble: A test on the accuracy and computational efficiency
  74. Self-guided molecular dynamics in the isothermal–isobaric ensemble
  75. Molecular dynamics study of the dipalmitoyl phosphatidylcholine bilayer in the liquid crystal phase: an effect of the potential force fields on the membrane structure
  76. Parallel molecular dynamics simulation: Implementation of PVM for a lipid membrane
  77. Molecular Dynamics Study on Electrostatic Properties of a Lipid Bilayer:  Polarization, Electrostatic Potential, and the Effects on Structure and Dynamics of Water near the Interface
  78. A Voronoi analysis of lipid area fluctuation in a bilayer
  79. Molecular dynamics study of a lipid bilayer: Convergence, structure, and long-time dynamics
  80. Molecular dynamics simulation of the dipalmitoylphosphatidylcholine (DPPC) lipid bilayer in the fluid phase using the Nosé-Parrinello-Rahman NPT ensemble