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QSAR modeling of human catecholO-methyltransferase enzyme kinetics

✍ Scribed by Adina Costescu; Cristina D. Moldovan; Gabriel Katona; Mircea V. Diudea

Publisher
Springer
Year
2008
Tongue
English
Weight
259 KB
Volume
45
Category
Article
ISSN
0259-9791

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## Abstract **A series of DNA** methyltransferaseβ€…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