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- W10496876 abstract "Publisher Summary This chapter covers the advances since 1995 in DNA and DNA:ligand molecular modeling. The application of molecular modeling (and structural biology as a whole) to nucleic acids is, and will continue to be, increasingly important in future, particularly in light of the complete mapping of the human genome. The ability to target a particular gene or control region of genetic DNA in a sequence-specific fashion is one of the biggest challenges in drug design today. There are several DNA-based approaches that are currently under investigation to do this, such as the antigene (targeting transcription by triplex formation), antisense (targeting translation), and aptamer (posttranslational, targeting particular proteins) approaches. The advances in molecular modeling have been significant. Several forms of DNA in various applicable experimental conditions can now be reproduced and similar hydration and ion associations can be observed in some systems. It is hoped that this is just the beginning for reliable simulations that can rationalize experimental observations and then can be used to predict and design new experiments. It is apparent for most biologically relevant systems that a multidisciplinary approach, including biochemistry, bioinformatics, biophysics, chemical synthesis, molecular biology, and structural biology [nuclear magnetic resonance (NMR), X-ray crystallography, molecular modeling], is needed to fully elucidate the system of interest." @default.
- W10496876 created "2016-06-24" @default.
- W10496876 creator A5071197441 @default.
- W10496876 date "2001-01-01" @default.
- W10496876 modified "2023-09-23" @default.
- W10496876 title "Molecular modeling of drug-DNA complexes: An update" @default.
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