Probing the Active Site of Acetylcholinesterase by Molecular Dynamics of Its Phosphonate Ester Adducts
- 1 January 1996
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 118 (36) , 8531-8541
- https://doi.org/10.1021/ja952406v
Abstract
No abstract availableKeywords
This publication has 43 references indexed in Scilit:
- Synthesis and Properties of Mixed Organic Derivatives of Elements of III, IV and V Groups and Phosphorus (IV) ThioacidsPhosphorus, Sulfur, and Silicon and the Related Elements, 1996
- Raman spectroscopic study of conjugates of butyrylcholinesterase with organophosphatesBiochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology, 1995
- Efficient product clearance through exit channels in substrate hydrolysis by acetylcholinesteraseFEBS Letters, 1994
- Open "Back Door" in a Molecular Dynamics Simulation of AcetylcholinesteraseScience, 1994
- Key active site residues in the inhibition of acetylcholinesterases by somanFEBS Letters, 1993
- The Role of Glutamate-199 in the Aging of CholinesteraseBiochemical and Biophysical Research Communications, 1993
- Engineering resistance to ‘aging’ of phosphylated human acetylcholinesterase Role of hydrogen bond network in the active centerFEBS Letters, 1993
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983
- The structure of bovine trypsin : Electron density maps of the inhibited enzyme at 5 Å and at 2·7 Å resolutionJournal of Molecular Biology, 1974