The field of pharmacophore modeling has steadily emerged as a cornerstone in the rational design of kinase inhibitors. By abstracting the essential molecular features required for optimal binding to ...

Using 3-D Modeling to Optimize Small Molecule Drug Discovery Structure-based drug designers identify and optimize small molecules that affect the activity of target proteins, such as kinases, by ...

The program provides an overview on main approaches and techniques used in computational drug design, ranging from protein modeling, docking, pharmacophore based screening, up to machine learning and ...