Structural Bioinformatics covers the prediction and analysis in-silico of biological molecular structures with the goal to understanding functional mechanisms at a molecular level. Due to the significant effort of the scientific community, this field has dramatically evolved over the recent years, in particular for proteins. The techniques available to predict and analyze protein structures are...

The realm of drug discovery has been significantly transformed by the integration computational techniques into design process. This review delves evolving landscape computer-aided design, focusing on latest innovations that are reshaping traditional paradigms engineering and optimization. We explore how in silico approaches, powered advances molecular modeling, machine learning, structural bio...