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Molecular Modelling Applications | Open Access Journals
Molecular Biology: Open Access

Molecular Biology: Open Access

ISSN: 2168-9547

Open Access
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Molecular Modelling Applications

Molecular modeling covers a good sort of theoretical and computational methods wont to represent the structure of molecules, ions and/or particles. They can be classified—according to the length and duration of the modeling matter—from electronic to continuous levels. Considering solute/solvent systems, there are three main categories for molecular modeling: implicit methods, integral equations and classical density functional theory, and explicit methods. Thus, so as to present the most idea of every class of methods available in the chemical engineering field, this work comprehends three methods: Poisson Boltzmann equation, classical density functional theory, and molecular dynamics simulation. Finally, scale integration is presented as a technique for efficient modeling and simulation

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