Electronic Structure Based Classification of Neurotransmitters and Related Drugs
A fundamental understanding of the relationship between structure and activity of neurotransmitters in the human brain is of vital importance for the design targeted drugs. Using density functional theory and hybrid exchange correlation energy functionals we have studied the structure-activity-relat...
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VCU Scholars Compass
2010
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| Online Access: | http://scholarscompass.vcu.edu/etd/2284 http://scholarscompass.vcu.edu/cgi/viewcontent.cgi?article=3283&context=etd |