TY  - JOUR
VL  - 39
JF  - ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
Y1  - 1983/02//
UR  - http://scripts.iucr.org/cgi-bin/paper?S0108768183002098
ID  - discovery1367875
N1  - Copyright © International Union of Crystallography
TI  - 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
IS  - Part 1
AV  - public
N2  - 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.
SN  - 0108-7681
A1  - ISLAM, S
A1  - NEIDLE, S
EP  -  119
SP  - 114 
ER  -