Interaction between β-lactoglobulin and EGCG under high-pressure by molecular dynamics simulation
Yechuan Huang, Xicai Zhang, Huayi Suo
The paper uses molecular docking and MD simulation to study β-lactoglobulin-EGCG binding under high pressure, finding site-specific structural changes and binding free energy shifts.
PLoS ONE · Dec 21, 2021Peer-reviewedMolecular Biology