Reproduction of ab initio electrostatic potential with classical fractional point charges for biological molecules: dopamine, gamma-aminobutyric acid, and acetylcholine.
Kubodera
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Umeyama
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D000109:Acetylcholine / Q000032:analysis*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D004298:Dopamine / Q000032:analysis*; D004563:Electrochemistry; D005680:gamma-Aminobutyric Acid / Q000032:analysis*
D005680:gamma-Aminobutyric Acid; D000109:Acetylcholine; D004298:Dopamine