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Molecular dynamics simulation of carbon nanotube arrays responses on mechanical and electrical high frequency forces by molecular dynamics numerical experiment. Signal propagation in linear chain of carbon nanotubes linked

Three-dimensional structures of carbohydrates and where to find them to carbohydrates and their derivatives. Databases, molecular modeling and experimental data validation services

Novel carbon nanostructures: molecular and covalent bound graphene-fullerene crystalsNovel carbon nanostructures: molecular and covalent bound graphene-fullerene crystals

Investigation of compact denatured state of protein by molecular dynamics simulation denatured state, the method of molecular dynamics simulation seems to be very useful.

Vibrational dynamics in H+-substituted forsterite: A first-principles molecular dynamics studyVibrational dynamics in H+-substituted forsterite: A first-principles molecular dynamics

Docking and molecular dynamics simulations in potential drugs discovery: An application to influenza virus M2 protein of docking can be achieved by different ways-one of them is molecular dynamics simulations of protein

Molecular interaction of silicon quantum dot micelles with plasma proteins: Hemoglobin and thrombin spectroscopy, circular dichroism spectroscopy and molecular modelling studies after interaction with non

Computational Characterization of the Substrate Activation in the Active Site of SARS-CoV-2 Main ProteaseMolecular dynamics simulations with the QM(DFT)/MM potentials are utilized to discriminate between

Molecular dynamics simulation of diffusion along general high-angle grain boundaries in copper and vanadium is illustrated on the example of molecular dynamics simulations of general high-angle grain boundaries in copper

Thermal conductivity in amorphous ices from molecular dynamicsThermal conductivity in amorphous ices from molecular dynamics

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