Kousei Takeshima

Conformation- and Compound-Dependence of Ribose/2′-Deoxyribose Retention Patterns in Pyrimidine-Nucleoside Phosphorylase from Bacillus subtilis : A Four-Structure Molecular Dynamics Study

In pyrimidine-nucleoside phosphorylase (PyNP), how the conformational state shapes substrate recognition remains poorly understood. In this study, all-atom molecular dynamics (MD) with MM-PB(GB)SA decomposition was performed on four structures of PyNP from Bacillus subtilis spanning the conformational range: the open...