Article ID Journal Published Year Pages File Type
5379782 Chemical Physics Letters 2015 5 Pages PDF
Abstract

- In silico mutants of blue-light photoreceptors were generated using MD simulation.
- The active site of the cyclobutane-pyrimidine dimer (CPD) photolyase was examined.
- The enzyme-substrate (ES) interactions were evaluated by using FMO-MP2 calculations.
- The active sites were compared between the CPD photolyase and the cryptochrome DASH.
- Key residues were identified in the ES interactions of the CPD photolyase.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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