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Items: 14


Gorge Motions of Acetylcholinesterase Revealed by Microsecond Molecular Dynamics Simulations.

Cheng S, Song W, Yuan X, Xu Y.

Sci Rep. 2017 Jun 12;7(1):3219. doi: 10.1038/s41598-017-03088-y.


Halogen-directed drug design for Alzheimer's disease: a combined density functional and molecular docking study.

Rahman A, Ali MT, Shawan MM, Sarwar MG, Khan MA, Halim MA.

Springerplus. 2016 Aug 12;5(1):1346. doi: 10.1186/s40064-016-2996-5. eCollection 2016.


A wrench in the works of human acetylcholinesterase: soman induced conformational changes revealed by molecular dynamics simulations.

Bennion BJ, Essiz SG, Lau EY, Fattebert JL, Emigh A, Lightstone FC.

PLoS One. 2015 Apr 13;10(4):e0121092. doi: 10.1371/journal.pone.0121092. eCollection 2015.


Computational investigation of inhibitory mechanism of flavonoids as bovine serum albumin anti-glycation agents.

Johari A, Moosavi-Movahedi AA, Amanlou M.

Daru. 2014 Dec 11;22:79. doi: 10.1186/s40199-014-0079-0.


The concept of allosteric interaction and its consequences for the chemistry of the brain.

Changeux JP.

J Biol Chem. 2013 Sep 20;288(38):26969-86. doi: 10.1074/jbc.X113.503375. Epub 2013 Jul 22. Review.


Gates of enzymes.

Gora A, Brezovsky J, Damborsky J.

Chem Rev. 2013 Aug 14;113(8):5871-923. doi: 10.1021/cr300384w. Epub 2013 Apr 25. Review. No abstract available.


Structure-based search for new inhibitors of cholinesterases.

Bajda M, Więckowska A, Hebda M, Guzior N, Sotriffer CA, Malawska B.

Int J Mol Sci. 2013 Mar 11;14(3):5608-32. doi: 10.3390/ijms14035608.


Kinetics of Torpedo californica acetylcholinesterase inhibition by bisnorcymserine and crystal structure of the complex with its leaving group.

Bartolucci C, Stojan J, Yu QS, Greig NH, Lamba D.

Biochem J. 2012 Jun 1;444(2):269-77. doi: 10.1042/BJ20111675.


Genome organization, phylogenies, expression patterns, and three-dimensional protein models of two acetylcholinesterase genes from the red flour beetle.

Lu Y, Pang YP, Park Y, Gao X, Yao J, Zhang X, Zhu KY.

PLoS One. 2012;7(2):e32288. doi: 10.1371/journal.pone.0032288. Epub 2012 Feb 16.


Interaction of human brain acetylcholinesterase with cyclophosphamide: a molecular modeling and docking study.

Shakil S, Khan R, Tabrez S, Alam Q, Jabir NR, Sulaiman MI, Greig NH, Kamal MA.

CNS Neurol Disord Drug Targets. 2011 Nov;10(7):845-8.


Mining electron density for functionally relevant protein polysterism in crystal structures.

Fraser JS, Jackson CJ.

Cell Mol Life Sci. 2011 Jun;68(11):1829-41. doi: 10.1007/s00018-010-0611-4. Epub 2010 Dec 29. Review.


Long route or shortcut? A molecular dynamics study of traffic of thiocholine within the active-site gorge of acetylcholinesterase.

Xu Y, Colletier JP, Weik M, Qin G, Jiang H, Silman I, Sussman JL.

Biophys J. 2010 Dec 15;99(12):4003-11. doi: 10.1016/j.bpj.2010.10.047.


Acetylcholinesterase: from 3D structure to function.

Dvir H, Silman I, Harel M, Rosenberry TL, Sussman JL.

Chem Biol Interact. 2010 Sep 6;187(1-3):10-22. doi: 10.1016/j.cbi.2010.01.042. Epub 2010 Feb 4.


Mapping of ligand-binding cavities in proteins.

Andersson CD, Chen BY, Linusson A.

Proteins. 2010 May 1;78(6):1408-22. doi: 10.1002/prot.22655. Erratum in: Proteins. 2011 Apr;79(4):1363.

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