BiophysicsbioRxiv
All-Atom MD Simulations of the HBV Capsid Complexed with AT130 Reveal Secondary and Tertiary Structural Changes and Mechanisms of Allostery
C. Perez Segura, B. C. Goh, J. A. Hadden-Perilla
This study uses all-atom MD simulations to show AT130 stabilizes HBV capsid structure and reveals new conformational states and allostery mechanisms.
DOI 10.3390/v13040564