dockinganalyyseja
Dockinganalysis is a method used in computer-aided drug design to predict the binding affinity of small molecules to a protein target. It involves a simulation of how a molecule binds to a protein and estimates the strength of the interaction. Dockinganalysis is often used in the early stages of drug discovery to identify potential lead compounds.
The process begins with the creation of a three-dimensional model of the protein target, which is used
Several types of dockinganalysis exist, including classical docking, which relies on electrostatic and van der Waals
Dockinganalysis has become a widely accepted tool in the field of drug discovery, allowing researchers to identify