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- W2154268524 abstract "1D/2D NMR studies are reported for a [1:1] complex of d(GA4T4C)2 and Dst2 (an analogue of distamycin A). Full-Matrix NOESY Simulations, Molecular Mechanics and Molecular Dynamics Calculations are performed to analyze the NMR data. Results show that drug-DNA complex formation is driven by static features like H-bonding and steric interactions in the minor-groove of DNA. As a consequence of drug binding, a non-linear oscillatory mode is activated. In this mode the molecule samples equilibrium structural states of different degrees of bending. It is noted that these structures belong to three distinctly different energy wells that satisfy the same NMR data." @default.
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- W2154268524 date "1990-01-01" @default.
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- W2154268524 title "Structure and Dynamics of a [1:1] Drug-DNA Complex: Analysis of 2D NMR Data Using Molecular Mechanics and Molecular Dynamics Calculations" @default.
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- W2154268524 doi "https://doi.org/10.1007/978-94-011-3728-7_6" @default.
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