Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 2 of 2 for “"Classical Drude Oscillator"”.
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Computer-Aided Drug Design of G-quadruplex Structures: Harnessing Polarization for Rational Drug Design
… of GQs. Central to this effort is the use of the classical Drude oscillator polarizable force field model to more accurately describe GQ dynamics, ion interactions, and ligand binding ener- getics. Through an in-depth characterization of the HIV-1 LTR-III GQ, we reveal how local electric fields …
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Polarizable Simulations of the bcl-2 DNA G-Quadruplex and FMRP RNA G-Quadruplex:Duplex Junction Binding Protein
… molecular dynamics simulations using the Drude polarizable force field (FF) to gain insight into factors contributing to the stability of two GQs. One is the bcl-2 promoter region GQ, which is implicated in several types of cancer including B-cell lymphoma, and the second is the sc1 RNA …