ESM-scan-A tool to guide amino acid substitutions.

ABSTRACT: Protein structure prediction and (re)design have gone through a revolution in the last 3 years. The tremendous progress in these fields has been almost exclusively driven by readily available machine learning algorithms applied to protein folding and sequence design problems. Despite these advancements, predicting site-specific mutational effects on protein stability and function remains an unsolved problem. This is a persistent challenge, mainly because the free energy of large systems is very difficult to compute with absolute accuracy and subtle changes to protein structures are hard to capture with computational models. Here, we describe the implementation and use of ESM-Scan, which uses the ESM zero-shot predictor to scan entire protein sequences for preferential amino acid changes, t

SUBMITTER: Totaro MG 

PROVIDER: S-EPMC11577456 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature