A physics-based energy function allows the computational redesign of a PDZ domain
V. Opuu, Y. J. Sun, T. Hou, N. Panel, E. J. Fuentes, T. Simonson
This paper redesigns a PDZ domain using a physics-based energy function, showing that sequences generated by Monte Carlo simulations can fold into the correct structure and bind ligands.
Scientific Reports · Jul 7, 2020Peer-reviewedBiophysics