eprintid: 1367875 rev_number: 37 eprint_status: archive userid: 608 dir: disk0/01/36/78/75 datestamp: 2012-10-15 19:37:30 lastmod: 2020-02-12 21:42:58 status_changed: 2012-12-03 11:15:08 type: article metadata_visibility: show item_issues_count: 0 creators_name: ISLAM, S creators_name: NEIDLE, S 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 ispublished: pub divisions: UCL divisions: A01 divisions: B02 divisions: C08 divisions: D10 note: Copyright © International Union of Crystallography 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. date: 1983-02 official_url: http://scripts.iucr.org/cgi-bin/paper?S0108768183002098 vfaculties: VFLS oa_status: green language: eng primo: open primo_central: open_green verified: verified_manual elements_source: WoS-Lite elements_id: 421224 doi: 10.1107/S0108768183002098 lyricists_name: Neidle, Stephen lyricists_id: SNEID18 full_text_status: public publication: ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE volume: 39 number: Part 1 pagerange: 114 - 119 issn: 0108-7681 citation: ISLAM, S; NEIDLE, S; (1983) 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. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE , 39 (Part 1) 114 - 119. 10.1107/S0108768183002098 <https://doi.org/10.1107/S0108768183002098>. Green open access document_url: https://discovery.ucl.ac.uk/id/eprint/1367875/1/a22080.pdf