A Brief Survey on Bio Inspired Optimization Algorithms for Molecular Docking
نویسنده
چکیده
The idea in molecular docking is to design pharmaceuticals computationally by identifying potential drug candidates targeted against proteins. The candidates can be found using a docking algorithm that tries to identify the bound conformation of a small molecule ligand to a macromolecular target at its active site, which is the region of an enzyme where natural substrate binds. Mathematically, molecular docking can be formulated as an optimization problem in which the objective is to minimize the intermolecular bound conformational energy of two interacting molecules. In this brief survey, after a concise introduction on nature inspired computing, the application of bio inspired optimization algorithms in molecular docking has been studied.
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