Computational quantum pharmacology

It should be noted, too, that almost all the UK developments in computational quantum pharmacology, drug design, and study of the electronic structure of carcinogenic compounds took place outside a CCP context. Why this happened is difficult to discern, but perhaps it was because conunercial sponsorship for work in these areas was more readily available than in some other areas, and so the need for collaborative endeavour was less. Indeed possibly the nature of commercial sponsorship actually discouraged collaboration. However, that may be, there were lively developments in these areas in the UK, most notably perhaps in the groups of W. G. (Graham) Richards in Oxford and in that of Colin Thomson at St. Andrews. 

In the volumes to come, special attention will be devoted to the following subjects the quantum theory of closed states, particularly the electronic structure of atoms, molecules, and crystals the quantum theory of scattering states, dealing also with the theory of chemical reactions the quantum theory of time-dependent phenomena, including the problem of electron transfer and radiation theory molecular dynamics statistical mechanics and general quantum statistics condensed matter theory in general quantum biochemistry and quantum pharmacology the theory of numerical analysis and computational techniques. 

We further plan to publish two volumes of the Advances per year one regular volume in the same style as before, and one thematic volume concerned with one specific subject, for example, computational methods in quantum chemistry, theoretical organic chemistry, quantum pharmacology and drug design, density functional theory, and relativistic quantum chemistry. 

Nguyen-Cong, V. and Rode, B.M. (1996a). Quantum Pharmacological Analysis of Structure-Activity Relationships for Mefloquine Antimalarial Drugs Using Optimal Tlransformations. J.Chem.lnf.Comput.Sci., 36,114-117. 

Finally, on the theoretical front, more sophisticated calculations taking advantage of the new data from X-ray, mode of action, and chemical research will allow refinements in the quantum pharmacological computer experiments. These refinements, in turn, should set the stage for further understanding of the p-lactam antibiotics at the molecular and electronic level. 

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