Molecular Modeling and Molecular Dynamic
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Narender Singh; Alfonso Dueñas-González; Frank Lyko; Jose L. Medina-Franco
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Article
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2009
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John Wiley and Sons
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English
⚖ 660 KB
## Abstract **A series of DNA** methyltransferase 1 (DNMT1) inhibitors were modeled by docking and molecular dynamics studies to rationalize their activity. Our findings will be valuable in guiding research efforts toward the rational design and virtual screening of novel DNMT inhibitors.magnified