Browsing by Author "Hornemann, Ulfert"

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NMR and amber analysis of the neamine pharmacophore for the design of novel aminoglycoside antibiotics

Andac, Cenk A.; Stringfellow, Thomas C.; Hornemann, Ulfert; Noyanalpan, Ningur (Academic Press Inc Elsevier Science, 2011)

The dependence of the solution structure of neamine on pH was determined by NMR and AMBER molecular dynamics methods at pD 3.3, pD 6.5, and pD 7.4 in D2O at 25 degrees C. Unlike neamine structures at pD 3.3 and 6.5, which ...
Use of the parmbsc0 force field and trajectory analysis to study the binding of netropsin to the DNA fragment (5?CCAATTGG)2 in the presence of excess NaCl salt in aqueous solution

Andac, Cenk A.; Miandji, Anooshirvan M.; Hornemann, Ulfert; Noyanalpan, Ningur (Elsevier, 2011)

The parmbsc0 force field was applied to study in detail the binding of netropsin, at a salt concentration of 0.28 M Na+, to the minor groove of an 8-mer (5'CCAATTGG)(2) DNA duplex forming a netropsin DNA complex which ...