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Based on the MD simulation results, the sequential bridging method is adopted for efficient estimation of the particle size and epoxy networking effects.
Based on the MD simulations, the most favorable hDAT-Tat binding mode (with the best geometric matching quality and reasonable interaction between hDAT and Tat) was identified, and the final hDAT-Tat binding structure was energy-minimized for analysis.
The decrease in the likelihood of evaporation/condensation with temperature, predicted by the quantum-chemical (QC) approach, agrees with the prediction of the classical theory based on the MD simulations of n-dodecane molecules.
Based on the MD simulation we have chosen six clusters of the γ/γ′ interface for the DVM study, in which the interatomic energy, the charge distribution, the partial density of states and the electron density difference are all calculated.
Based on the MD results, we propose that π interactions, as well as the mutual rotation of the aromatic rings in the protein and ligand, can be regarded as sources of ligand movement, and thus, the whole complex may work as a "molecular propeller".
The molecules at each parent node are classified, based on the MD value, into two child nodes, and the resulting child nodes or subsets are split into sub-subsets, generally using different MDs.
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Since the Hungarian algorithm can get one of optimal assignment matrix M, if PMval> θ based on the M, it illustrates that this mapping relationship may be not correct and two graphs are still probability isomorphic.
In this article, we propose linear and nonlinear robust formulations for multiclass classification based on the M-SVM method.
The new work, based on the Ming dynasty tale of a Buddhist monk in love with an enemy's daughter, explores several issues.
According to news media reports, the Vatican reportedly will replace the current popemobile, based on the Mercedes-Benz M-Class, with a plug-in hybrid also based on the M-Class.
The proposed design procedure contains robust stability condition based on the M-delta structure and it is used for additive and inverse additive uncertainty types.
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Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com