Computational Tools for Cancer Nanomedicine

Computational tools in cancer nanomedicine consist of many approaches that enable progress at the convergence of computer engineering and medical science. Computational methods are crucial in the field of targeted drug development as cancer nanomedicine progresses and highlight the diverse and varied contributions of these technologies, which include deciphering molecular interactions, predicting drug-target interactions, and improving chemical compound libraries. The integration of computer engineering approaches with nanomedicine not only accelerates scientific exploration but also presents exciting opportunities for tailored and efficient cancer treatments. This book chapter presents a concise summary of the main computational methods used in cancer nanomedicine, including molecular modeling, chemoinformatics, and molecular docking, which can be very useful for researchers and scientists.