Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nature Communications
Broom, Aron A; Rakotoharisoa, Rojo V RV; Thompson, Michael C MC; Zarifi, Niayesh N; Nguyen, Erin E; Mukhametzhanov, Nurzhan N; Liu, Lin L; Fraser, James S JS; Chica, Roberto A RA