Identification of lanosterol 14 alpha demethylase inhibitors via CADD

Identification of lanosterol 14 alpha demethylase inhibitors via CADD

Triazoles as Lanosterol 14 alpha inhibitors through molecular docking

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Modern approaches to finding new leads for therapeutic targets are increasingly based on three dimensional information about receptors. An effective way to predict binding structure of a substrate in its receptor is docking simulation which has been successfully used in many applications. Docking procedures basically aim to identify the correct conformation of ligands in the binding pocket of a protein and to predict the affinity between the ligand and the protein. In other words, it describes a process by which two molecules fit together in a 3-dimensinal space. Unlike other methods for docki...