Enhancing computational enzyme design by a maximum entropy strategy [Biophysics and Computational Biology]

Although computational enzyme design is of great importance, the advances utilizing physics-based approaches have been slow, and further progress is urgently needed. One promising direction is using machine learning, but such strategies have not been established as effective tools for predicting the catalytic power of enzymes. Here, we show that...

Source: Proceedings of the National Academy of Sciences - February 8, 2022 Category: Science Authors: Wen Jun Xie, Mojgan Asadi, Arieh Warshel Tags: Biophysics and Computational Biology Biological Sciences Source Type: research