Drug Discovery and Design Center (DDDC) was established in 2000, formerly known as Quantum Chemistry Laboratory started from 1970s. Aiming at discovering target proteins and lead compounds, the research areas of DDDC focuses on the theoretical method development and application, including computer-aided drug design (CADD), computational biology, bioinformatics, novel AI- and Big Data-driven CADD, and drug discovery and development study for important therapeutic target protein. Some of the research results are undergoing industrial development. The center, Prof. CHEN Kaixian and Prof. JIANG Hualiang were awarded the National Award for Natural Sciences (the second-rate prize), Ho-Leung-Ho-Lee Science and Technology Progress Award, Young Scientist Award of China, and the Outstanding Contribution Award of Chinese Pharmaceutical Association.