Dynamic hydrogen bonding and DNA flexibility in minor groove binders: molecular dynamics simulation of the polyamide f-ImPyIm bound to the Mlu1 (MCB) sequence 5′-ACGCGT-3′ in 2:1 motif

Author:

Bruce Chrystal D.1,Ferrara Maddi M.1,Manka Julie L.1,Davis Zachary S.2,Register Janna2

Affiliation:

1. Department of Chemistry; John Carroll University; 1 John Carroll Boulevard University Heights OH 44118 USA

2. Department of Chemistry; Erskine College; Due West SC 29639 USA

Publisher

Wiley

Subject

Molecular Biology,Structural Biology

Reference71 articles.

1. QSAR and docking studies on xanthone derivatives for anticancer activity targeting DNA topoisomerase II alpha;Alam;Drug Des. Devel. Ther.,2014

2. Design, synthesis and DNA binding properties of orthogonally positioned diamino containing polyamide f-IPI;Babu;Biochem. Biophys. Res. Commun.,2011

3. Synthesis and biological properties of sequence-specific DNA-alkylating pyrrole-imidazole polyamides;Bando;Acc. Chem. Res.,2006

4. Molecular dynamics simulations of the 136 unique tetranucleotide sequences of DNA oligonucleotides. I. Research design and results on d(C(p)G) steps;Beveridge;Biophys. J.,2004

5. The ABCs of molecular dynamics simulations on B-DNA, circa 2012;Beveridge;J. Biosci.,2012

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