Tack Kuntz Symposium on Structures, Energetics & Dynamics of Protein Binding: From Theory to Drug Design:

Division/Committee: [COMP] Division of Computers in Chemistry

Biomacromolecules such as proteins play an important role in many biological processes through interactions with small molecules or other proteins. The capability of understanding and predicting their binding structures, energetics and dynamics is crucial for computer-aided drug design. Since the first seminal paper published by Irwin “Tack” Kuntz and coworkers in 1982 and the DOCK software they developed afterwards, Kuntz pioneered the field of structure-based drug design, which has become a vigorously developing field resulting in valuable tools for drug discovery. This symposium will bring together prominent academia and industrial scientists to share the cutting-edge development of theory and methods on predicting protein-ligand interactions, protein-protein interactions, and protein-peptide interactions, with application to structure-based drug design. The symposium is also a warm celebration on Tack Kuntz's exceptional achievements as a scientist, mentor, and colleague.