BiophysicsScientific ReportsPeer-reviewed
A physics-based energy function allows the computational redesign of a PDZ domain
V. Opuu, Y. J. Sun, T. Hou…·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.
DOI 10.1038/s41598-020-67972-w