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Small molecules in biology
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acetylcholine acid Acta action activity affinity agonists anaesthetics angles approximation atomic orbitals basis set binding block bond catecholamines cell central nervous system charge distribution chemical Chemistry and Biochemistry chim CNDO coefficients compounds concentration configuration conformational potential energy conformational study correlation COURRIERE dopamine drugs E. D. Bergmann effects electron density Electrostatic potential energy map enzyme equation example experimental Figure GABA histamine hormones INDO inhibition initio calculations interaction involved ions KAUFMAN KIER ligand LOEW membrane methods Molec molecular orbital molecular orbital calculations molecular potential muscle nerve neuro-transmitters neuromuscular junction noradrenaline orbital energies PCILO conformational Pharm Pharmac pharmacology possible potential energy surface problem Proc produce properties protein PULLMAN Pullman eds Quantum Biol Quantum Chem Quantum Chemistry quantum mechanics receptor small molecule solution solvation solvent specific structure structure-activity Symp Symposium on Quantum synaptic theoretical calculations theory transmission transmitter V(Me wave function