Pub. Date : 2017 Feb 15
PMID : 28165084
2 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | Unbinding of fluorinated oxime drug from the AChE gorge in polarizable water: a well-tempered metadynamics study. | Water | acetylcholinesterase (Cartwright blood group) | Homo sapiens |
| 2 | We systematically studied the unbinding of fluorinated obidoxime (FOBI) and non-fluorinated obidoxime (OBI) from the active site gorge of the serine hydrolase AChE in mean field polarizable water by employing all atom molecular dynamics simulations. | Water | acetylcholinesterase (Cartwright blood group) | Homo sapiens |