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Computer simulations of cyclic and acyclic cholinergic agonists: conformational search and molecular dynamics simulations.

Molecular dynamics simulations have been performed on aqueous solutions of two chemically similar nicotinic cholinergic agonists in order to compare their structural and dynamical differences. The cyclic 1,1-dimethyl-4-acetylpiperazinium iodide (HPIP) molecule was previously shown to be a strong ago...

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Main Authors: McGroddy, K A, Brady, J W, Oswald, R E
格式: Artigo
語言:Inglês
出版: 1994
主題:
在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC1275698/
https://ncbi.nlm.nih.gov/pubmed/8161685
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