YU JianSpecially Appointed Assistant Professor

Laboratory of X-Ray Structural Biology
Research Theme
Research concerning structure-based drug design, automated Native-SAD analysis method for X-ray crystal structure
Research Keywords

Structural biology, strucuture-base drug desing, algorithm and software development, Native-SAD

Overview of Research

Protein molecules perform their various biological functions based on their different structures. Our group mainly focus on determinging and analyzing protien structure which is usually the key to revealing the reaction mechanisms of living organisms. Furthermore, we apply protien structures to further reaserch such as drug design, enzyme design and so on.

Structure-based drug design with AI
Structure-based drug design (SBDD) is a well-established tool in the rational drug design toolbox for modern drug discovery. SBDD uses the known 3D geometrical structure of proteins, which are most often derived from X-ray crystallography at an atomic resolution, to assist in the development of new drug compounds. Recently, artificial intelligence(AI) shows its reamarkable power in SBDD against a huge amount of data. Our group now focus on the development of new algorithm and software for SBDD with the AI techniques.

Native S-SAD method for X-ray crystallography
Native-SAD method use the anomalous scattering signal form sulfur atom in protien to solve the phase problem in X-ray crystallograph. The challenge of this method is to find the optimum parameters for data collection and data analysis. Our group now focus on developing an automated data collection and ananlysis system for Natve S-SAD with deep learning technique.



Our research group uses various advanced technologies such as computational technique and artificial intelligence to aid research on the analysis of protein structure and function in order to understand various life phenomena. Join us if you are also interested in both of computer science and biology and want to be good at it.

Representative Publications



<Office Hour>
– Time: Anytime during the lecture period
– Place: Science Bldg. No.5, 3F, #5-313
Please contact in advance by E-mail.
E-mail: yu[at]