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Artificial cytochrome b: Computer modeling and evaluation of redox potentials
(Amer Chemical Soc, Washington, 2001)
We generated atomic coordinates of an artificial protein that was recently synthesized to model the central part of the native cytochrome b (Cb) subunit consisting of a four-helix bundle with two hemes. Since no X-ray ...
Energetics of radical transfer in DNA photolyase
(Amer Chemical Soc, Washington, 2002)
Charge separation and radical transfer in DNA photolyase from Escherichia coli is investigated by computing electrostatic free energies from a solution of the Poisson-Boltzmann equation. For the initial charge separation ...
A 3-fold "Butterfly Valve" in Command of the Encapsulation's Kinetic Stability. Molecular Baskets at Work
(Amer Chemical Soc, Washington, 2008)
Molecular basket 1, composed of a semirigid tris-norbornadiene framework and three revolving pyridine-based gates at the rim, has been built to "dynamically" enclose space and as such regulate molecular encapsulation. The ...
Design, synthesis, and conformational dynamics of a gated molecular basket
(Amer Chemical Soc, Washington, 2006)
We have developed a synthesis and examined the conformational behavior and recognition properties of dynamic molecular containers 1-3. As follows from the H-1 NMR dilution, diffusion NMR, and vapor pressure osmometry ...