Structure-based Virtual Screening

Structure-based virtual screening is a computer-aided approach used in drug discovery to identify potential new medicines. It involves analyzing the 3D structure of a target molecule, such as a protein linked to a disease, to find small compounds that can bind effectively to it. By simulating how various molecules fit into the target’s active site, researchers can quickly evaluate many candidates virtually, saving time and resources. This method helps prioritize promising compounds for experimental testing, accelerating the process of developing new drugs with improved chances of success.