Binding of pyrimidine model dimers to the photolyase enzyme: a molecular dynamics study
Article Abstract:
The photo repair mechanism of DNA photolyase has been studied through molecular dynamics (MD) simulations. The investigation focuses on the cis,syn form, which is actively involved in the repair process. The docking and binding of bare and dressed model pyrimidine dimers U<>T and dU
dT in the enzyme pocket have also been examined. The AMBER force field feature of the software Discover version 95.0 was used in doing the MD simulations. Results indicated that the dimers are inflexible and they have similar shapes. Van der Waals and Coulomb interactions were observed when the dimers dock into the enzyme pocket.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
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Molecularly resolved protein electromechanical properties
Article Abstract:
The transport across metal-protein-electrode junction which falls within three, pressure-dependent regimes that could be used in analyzing temporal variations of protein fold is demonstrated.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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