Dynamic conformation-aware protein language modeling enables structure-guided engineering of Candida antarctica lipase B

Key Points

• The aim is to utilize dynamic conformation-aware protein language modeling to engineer CALB for better ester hydrolysis.
• Developed a dynamic conformation-aware protein language modeling (DC-PLM) strategy.
• Targeted engineering of Candida antarctica lipase B (CALB) was performed.
• Evaluated the effectiveness for long-chain ester hydrolysis and valorization of waste oils.
• DC-PLM improves the efficiency of CALB in hydrolyzing long-chain esters.
• Significant enhancement in the valorization of industrial waste oils was observed.
• Quantitative metrics on hydrolysis rates are indicated, enhancing processing outcomes.