An enumerative algorithm for de novo design of proteins with diverse pocket structures [Biophysics and Computational Biology]

To create new enzymes and biosensors from scratch, precise control over the structure of small-molecule binding sites is of paramount importance, but systematically designing arbitrary protein pocket shapes and sizes remains an outstanding challenge. Using the NTF2-like structural superfamily as a model system, we developed an enumerative algorithm for creating...

Source: Proceedings of the National Academy of Sciences - September 7, 2020 Category: Science Authors: Benjamin Basanta, Matthew J. Bick, Asim K. Bera, Christoffer Norn, Cameron M. Chow, Lauren P. Carter, Inna Goreshnik, Frank Dimaio, David Baker Tags: Biological Sciences Source Type: research