Health AI Central
Peer-Reviewed Publication
Protein Eng Des Sel2026July 6, 2026Journal Article

Prioritizing Stability-enhancing Mutations using the ESM Protein Language Model in conjunction with Physics-based MM/GBSA Predictions.

Emily R Rhodes1,2,3, Guido Scarabelli4, Jonathan Jou3, Jacob Byerly3, Kayla G Sprenger1,5, Eliud O Oloo4
1Department of Chemical and Biological Engineering, University of Colorado Boulder, Jennie Smoly Caruthers Biotechnology Building, 3415 Colorado Ave, Boulder, CO 80303, USA.
2Schrödinger Inc, 9868 Scranton Rd Suite 3200, San Diego, CA 9212, USA.
3Schrödinger Inc, 1540 Broadway Floor 24, New York, NY 10036, USA.
4Schrödinger Inc, 1 Main St 11th Floor, Cambridge, MA 02142, USA.
5Biomedical Engineering Program, University of Colorado Boulder, 1111 Engineering Drive, Boulder, CO 80309, USA.
PubMed DOI

Abstract

Directed evolution for protein engineering, as currently practiced in the biotechnology and pharmaceutical industries, is both tedious and expensive. Computationally driven protein design has the potential to expedite the engineering process and generate high-quality variants at a lower cost than traditional approaches. We investigated the effectiveness of two different computational methods as tr…

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