Femtosecond dynamics of flavin cofactor in DNA photolyase: Radical reduction, local solvation, and charge recombination

Article Abstract:

A study examines the photoreduction dynamics of the neutral radical flavin (FADH) cofactor in E. coli photolyase, a process converting the inactive form to the biologically active, a fully reduced deprotonated flavin FADH(super -1). The observed temporal evolution revealed two initial electron-transfer reactions, occurring in 11 and 42 ps with the neighboring aromatic residues of W382 and F366, respectively.

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Femtosecond dynamics of DNA photolyase: Energy transfer of antenna initiation and electron transfer of cofactor reduction

Article Abstract:

Femtosecond studies of the complex dynamics of energy and electron transfer in E. coli photolyase were reported. The orientation factors were found to be 0.11 for the MTHF-FADH pair and 0.28 for the MTHF-FADH. The results revealed the ultrafast nature of the functional dynamics in photolyase.

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A molecular dynamics study of Lys-Trp-Lys: Structure and dynamics in solution following photoexcitation

Article Abstract:

Studies of the structure and dynamics of a tripeptide Lys-Trp-Lys (KWK) in aqueous solution following photoexcitation by molecular dynamics simulations are reported. For ground-state KWK, three stable conformations with free energy differences of less than 5.2kJ/mol are observed.

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