How to use a very simple microcomputing system for a dynamical conformational analysis of versatile molecules. The case of some anticancer inorganic ring systems
作者： Roger Lahana , Jean-Francois Labarre
DOI: 10.1016/0166-1280(82)80008-0
关键词: Computational chemistry 、 Chemistry 、 Simple (abstract algebra) 、 Molecule 、 Ring (chemistry) 、 Stereochemistry 、 Physical and Theoretical Chemistry 、 Biochemistry 、 Condensed matter physics
摘要: Abstract A very simple use of a suitable microcomputing system allows discrimination set X-ray structures anticancer drugs which (i) are the “natural” preferred conformations and (ii) direct relationships logically linking these together. Such an approach appears main interest for deep understanding relative antitumour activities drugs, whatever target may be.
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