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  • Vibrational softening of a protein on ligand binding
    Balog, Erika ...
    Neutron scattering experiments have demonstrated that binding of the cancer drug methotrexate softens the low-frequency vibrations of its target protein, dihydrofolate reductase (DHFR). Here, this ... softening is fully reproduced usingatomic detail normal-mode analysis. Decomposition of the vibrational density of states demonstrates that the largest contributions arise from structural elements of DHFR critical to stability and function. Mode-projection analysis reveals an increase of the breathing-like character of the affected vibrational modes consistent with the experimentally observed increased adiabatic compressibility of the protein on complexation.
    Vir: The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical. - ISSN 1520-6106 (Vol. 115, no. 21, 2011, str. 6811-6817)
    Vrsta gradiva - članek, sestavni del
    Leto - 2011
    Jezik - angleški
    COBISS.SI-ID - 4649242
    DOI

Vnos na polico