Research topics
Virtual screening and drug design:
Drug discovery is a long and costly endeavor that involves many stages of multidisciplinary collaborations. Our effort focuses on using computational tools to identify initial hit compounds for a given protein target (lead discovery) and optimize them into potent lead compounds (lead optimization). We collaborate with biologists to validate our identified hit compounds by experimental assays. We also collaborate with structural biologists to understand the binding mode of hit compounds for lead optimization.
We also develop new methods and implement them in computer programs to facilitate the ligand-based or structure-based virtual screening process.
Please refer to the following items for details:
We also develop new methods and implement them in computer programs to facilitate the ligand-based or structure-based virtual screening process.
Please refer to the following items for details: