%0 Journal Article %@ 0108-7681 %A ISLAM, S %A NEIDLE, S %D 1983 %F discovery:1367875 %J ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE %N Part 1 %P 114 - 119 %T NUCLEIC-ACID BINDING-DRUGS .7. MOLECULAR-MECHANICS STUDIES ON THE CONFORMATIONAL PROPERTIES OF THE ANTI-CANCER DRUG DAUNOMYCIN - SOME OBSERVATIONS ON THE USE OF DIFFERING POTENTIAL-ENERGY FUNCTIONS %U https://discovery.ucl.ac.uk/id/eprint/1367875/ %V 39 %X The conformation of the anti-cancer drug daunomycin has been investigated in detail by potential-energy calculations. The flexibility around the ether linkage, connecting the anthracycline chromophore and the amino sugar group, has been evaluated using several types of potential-energy function. The results largely support the hypothesis that the crystallographically observed conformation is the most stable one, although considerable detailed variation with respect to potential function was found. %Z Copyright © International Union of Crystallography