Loop-Centric Engineering of Terminal Deoxynucleotidyl Transferase for Enhanced Catalysis of 3'-Modified Nucleotides.
Efficient enzymatic DNA synthesis requires terminal deoxynucleotidyl transferases (TdTs) that can accept reversibly blocked nucleotides, but improving wild-type enzymes has traditionally depended on labor-intensive screening. Here, we combine deep learning-based structure prediction with molecular dynamics simulations...