Title : Active site gating and substrate specificity of butyrylcholinesterase and acetylcholinesterase: insights from molecular dynamics simulations.

Pub. Date : 2011 Jul 14

PMID : 21682268






1 Functional Relationships(s)
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1 In this study we compared the active sites of monomers and tetramers of human BChE and human AChE after performing molecular dynamics (MD) simulations in water-solvated systems. Water acetylcholinesterase (Cartwright blood group) Homo sapiens