CRISPR-Cas9 | Feiying Chen

Computational Chemistry and CRISPR Allostery

Sun, 07 Jun 2026 00:00:00 +0000

I use molecular dynamics, docking, Markov state modeling, pathway analysis, and allosteric network analysis to study how molecular perturbations reshape protein conformational states. This direction grew from work on SauCas9 inhibition by AcrIIA14, SpCas9 catalytic activation, and allosteric knowledgebase construction.

In silico Identification and Experimental Validation of Long-range Allosteric Inhibition of Staphylococcus aureus Cas9 by Anti-CRISPR Protein AcrIIA14

Thu, 01 May 2025 00:00:00 +0000

Citation. Feiying Chen et al. In silico Identification and Experimental Validation of Long-range Allosteric Inhibition of Staphylococcus aureus Cas9 by Anti-CRISPR Protein AcrIIA14. International Journal of Biological Macromolecules, 2025.

The work uses molecular simulation and wet-lab validation to explain how AcrIIA14 can remotely regulate SauCas9 catalytic activity, supporting the design of controllable CRISPR systems and Cas9 allosteric inhibitors.

Untangling the molecular mechanism of SpCas9 catalytic activation

Tue, 04 Mar 2025 00:00:00 +0000

Citation. Shaoyong Lu, Xinyi Li, Jiacheng Wei, Feiying Chen, Mingyu Li, Ning Liu, and Jian Zhang. Untangling the molecular mechanism of SpCas9 catalytic activation: A gear-and-wedge fitting model. Under review.

This manuscript links atomistic simulation to biochemical and cellular validation, showing how linker remodeling and REC2-domain motion coordinate the large HNH-domain displacement required for SpCas9 activation.