Tianyi Guan

About

This project investigates dynamic molecular recognition in fatty acid-binding proteins through computational chemical biology. The work examines how molecular structure and protein dynamics jointly shape protein-ligand interactions, with an emphasis on mechanistic interpretation and reproducible computational analysis.

Research Focus

The project integrates concepts from chemistry, structural biology, and computation to study molecular recognition at the protein-ligand interface. Public information is intentionally limited to the broad scientific scope while the work remains in progress.

Keywords

Computational chemical biology; fatty acid-binding proteins; molecular recognition; protein-ligand interactions; molecular simulation; environmental molecular science;

Project Status

Ongoing research. Unpublished hypotheses, compound-level comparisons, source-data selections, structural decisions, simulation protocols, parameterisation choices, quantitative findings, and manuscript-specific details are not disclosed on this page.