@article{discovery1367875, volume = {39}, year = {1983}, title = {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}, number = {Part 1}, month = {February}, pages = {114 -- 119}, journal = {ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE}, note = {Copyright {\copyright} International Union of Crystallography}, url = {http://scripts.iucr.org/cgi-bin/paper?S0108768183002098}, author = {ISLAM, S and NEIDLE, S}, abstract = {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.}, issn = {0108-7681} }