Molecular modelling in design of crop protection chemicals.
Specific examples from pesticide research are given which illustrate the types of analysis employed to design optimal inhibitors for a given receptor, based on the assumption that a congeneric series of compounds behave in a related mode in the biosystem. The examples illustrate the complementary role played by computational chemistry, X-ray crystallography and computer graphics and also raise questions as to the current limitations of existing molecular mechanics and quantum mechanics techniques.
Odell
B
B
Shell Research Limited, Sittingbourne Research Centre, Kent, U.K.
D000383:Agriculture; D003198:Computer Simulation; D015195:Drug Design; D008958:Models, Molecular; D010575:Pesticides / Q000138:chemical synthesis
D010575:Pesticides