The research interests of our group focus on the development and application of computational tools for the research on drug discovery and target identification by means of combining experiments and theories. Group members come from different disciplines. We are engaged in the collaboration regarding the integration of theory, experimental and computational sciences.
We are currently focusing on the development of efficient and accurate methods in terms of cheminformatics, molecular docking, scoring function, pharmacophore, molecular similarity, drug binding kinetic, optimization algorithms, high performance computing, as well as the application of the above methods in practical drug discovery and lead optimization. Also, we are dedicated to improving the methods of target identification, polypharmacology, network pharmacology, and applying these methods in the target validation of natural products from TCM.
Our lab is composed of computational, synthetic medicinal chemistry and molecular / structural biology teams. To test and/or apply these tools, we perform experiments in-house as well as collaborate with other partners.
Current areas of interest include: