NIH R01 · 2024
AutoDock Suite: High Performance Software Environment for Drug Design
Project Summary Computational docking is an essential tool for drug discovery and design, and it has been essential to the development of many drugs currently in clinical use. Given the growing availability of experimentally determined structures with atomic resolution, its application has become among the most important structure-based methods. The key role played by docking is underscored by the number of publications about it (more than 110k citations in the last 4 years), and its key role in the development of many drugs currently in clinical use. Despite being used now routinely by many researchers for decades, there are still many open challenges that need to be addressed. One of the…
From the public funding record at NIH RePORTER. Describes the funded project, not the reviews below.