What is molecular bioinformatics?

Research interest

By incorporating informatics and computation, we study molecular basis of epigenetic, protein endogenous chemical modification, and enzymatic reaction.

1. Computational Chemical Biology: study the chemical biology with molecular mechanistic and quantum mechanistic, at the atomic-molecular and electronic level. We focus on physiochemical functions upon chemical modifications in genomics and proteomics, such as protein S-nitrosylation and DNA-thiolation.

2. Enzyme Chemistry and Engineering: study mechanisms for enzymatic reactions, and then design particular substrates for medical applications or artificial enzymes for industrial applications. We develop methods using template of nanozyme and theozyme, and then apply for thioesterase, laccase, lipase, etc.

3. Bioinformatics and Biostatistics: mainly focus on abstracting information from public databases and literatures, which is related to signal translation, metabolism and microbial biosynthesis, in order to understand functional genomics.

4. Algorithm implementation: develop semi-empirical methodology, such as tight-binding density function theory, for the large-scale calculation in biochemistry. Develop new algorithms for large-scale computation.