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Molecular dynamics simulations of cesium adsorption on illite nanoparticles
Elsevier | 2016|Keywords: Molecular dynamics simulations -
Molecular dynamics study of force acting on a model nano particle immersed in fluid with temperature gradient: Effect of interaction potential
American Institute of Physics | 2016|Keywords: MOLECULAR DYNAMICS SIMULATIONS -
Molecular simulation of evaporation mass flux during net evaporation/condensation
American Institute of Physics | 2016|Keywords: MOLECULAR DYNAMICS SIMULATIONS -
Rate coefficients for dissociative attachment and resonant electron-impact dissociation involving vibrationally excited molecules
American Institute of Physics | 2014|Keywords: MOLECULAR DYNAMICS SIMULATIONS -
Molecular dynamics simulation on kinetic boundary conditions of gas-vapor binary mixture
American Institute of Physics | 2016|Keywords: MOLECULAR DYNAMICS SIMULATIONS -
Molecular dynamics simulations of nucleation details in stretched polyethylene
Elsevier | 2020|Keywords: Molecular dynamics simulations -
In silico modelling of apo-lactoferrin under simulated gastric conditions: Structural dynamics, binding with β-lactoglobulin and α-lactalbumin, and functional implications
Elsevier | 2021|Keywords: Molecular dynamics simulations, Steered molecular dynamics simulations -
Nanoparticle-based receptors mimic protein-ligand recognition
Free accessBASE | 2017|Keywords: molecular dynamics simulations -
How do carbon nanotubes serve as carriers for gemcitabine transport in a drug delivery system?
Elsevier | 2010|Keywords: Molecular dynamics simulations, Steered molecular dynamics simulations -
Effect of Temperature on Coalescence Behavior of Unsupported Gold Nanoparticles
Online Contents | 2019|Keywords: Molecular dynamics simulations -
Simulations of condensation flows induced by reflection of weak shocks from liquid surfaces
American Institute of Physics | 2016|Keywords: MOLECULAR DYNAMICS SIMULATIONS -
Exploring the structure characteristics and major channels of cytochrome P450 2A6, 2A13, and 2E1 with pilocarpine
Wiley | 2018|Keywords: molecular dynamics simulations, adaptive steered molecular dynamics simulations -
A comparison of molecular dynamics and diffuse interface model predictions of Lennard-Jones fluid evaporation
American Institute of Physics | 2014|Keywords: MOLECULAR DYNAMICS SIMULATIONS -
Molecular insights on the microstructures of nanoconfined glycerol and its aqueous solutions: The effects of interfacial properties, temperature, and glycerol concentration
Elsevier | 2019|Keywords: Molecular dynamics simulations -
Rheological Properties of Liquids Under Conditions of Elastohydrodynamic Lubrication
Online Contents | 2019|Keywords: Molecular dynamics simulations -
Intrinsic structural transitions of the pyramidal I 〈c + a〉 dislocation in magnesium
Elsevier | 2016|Keywords: Molecular dynamics simulations -
Thermal transpiration: A molecular dynamics study
American Institute of Physics | 2014|Keywords: MOLECULAR DYNAMICS SIMULATIONS -
Investigation into the site-specific binding interactions between chlorogenic acid and ovalbumin using multi-spectroscopic and in silico simulation studies
Free accessBASE | 2021|Keywords: Molecular dynamics simulations -
Mesoporous Encapsulated Chiral Nanogold for Use in Enantioselective Reactions
Wiley | 2018|Keywords: molecular dynamics simulations -
Liquid Structure with Nano-Heterogeneity Promotes Cationic Transport in Concentrated Electrolytes
American Chemical Society | 2017|Keywords: molecular dynamics simulations
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