Extensive free-energy simulations identify water as the base in nucleotide addition by DNA polymerase [Biophysics and Computational Biology]

Transphosphorylation of nucleotide triphosphates is the central reaction in DNA replication by DNA polymerase as well as many other biological processes. Despite its importance, the microscopic chemical mechanism of transphosphorylation of nucleotide triphosphates is, in most cases, unknown. Here we use extensive simulations of DNA polymerase η to test mechanistic...

Source: Proceedings of the National Academy of Sciences - December 9, 2019 Category: Science Authors: Daniel Roston, Darren Demapan, Qiang Cui Tags: Biological Sciences Source Type: research