2018
Overview
Molecular docking simulations are a type of computational method used to predict the binding affinity between two molecules. This process serves to predict how a drug molecule interacts with a receptor molecule in the body. As a result, molecular docking simulations are a valuable resource in drug discovery, providing insights into how a drug candidate may interact with various biological targets and aiding in the selection of successful lead compounds for further development and clinical testing. Molecular docking simulations can also be used to elucidate and understand the mechanism of action of drug molecules and to design and develop novel drugs.
Research published in this journal
1 peer-reviewed article, ranked by relevance. Each links to its DOI.