Literature DB >> 10679631

Electrostatic steering of substrate to acetylcholinesterase: analysis of field fluctuations.

S T Wlodek1, T Shen, J A McCammon.   

Abstract

Based on previous molecular dynamics simulation results for acetylcholinesterase dimer, we calculate and analyse the electrostatic field fluctuations around the enzyme. The results show that dynamic features of the electrostatic field favor attraction of the positively-charged substrate. An Internet link to an animation of the results is also provided. Copyright 2000 John Wiley & Sons, Inc.

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Year:  2000        PMID： 10679631     DOI： 10.1002/(SICI)1097-0282(200003)53:3<265::AID-BIP6>3.0.CO;2-N

Source DB:  PubMed          Journal:  Biopolymers        ISSN： 0006-3525            Impact factor:   2.505


  13 in total

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

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Journal:  Biophys J       Date:  2010-12-15       Impact factor: 4.033

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Journal:  Biophys J       Date:  2005-07-01       Impact factor: 4.033

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5.  On the electrostatic properties of homodimeric proteins.

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6.  The role of shape complementarity in the protein-protein interactions.

Authors:  Ye Li; Xianren Zhang; Dapeng Cao
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7.  A wrench in the works of human acetylcholinesterase: soman induced conformational changes revealed by molecular dynamics simulations.

Authors:  Brian J Bennion; Sebnem G Essiz; Edmond Y Lau; Jean-Luc Fattebert; Aiyana Emigh; Felice C Lightstone
Journal:  PLoS One       Date:  2015-04-13       Impact factor: 3.240

8.  Protein signatures using electrostatic molecular surfaces in harmonic space.

Authors:  C Sofia Carvalho; Dimitrios Vlachakis; Georgia Tsiliki; Vasileios Megalooikonomou; Sophia Kossida
Journal:  PeerJ       Date:  2013-10-22       Impact factor: 2.984

9.  Novel ENAM and LAMB3 mutations in Chinese families with hypoplastic amelogenesis imperfecta.

Authors:  Xin Wang; Yuming Zhao; Yuan Yang; Man Qin
Journal:  PLoS One       Date:  2015-03-13       Impact factor: 3.240

10.  An Electrostatic Funnel in the GABA-Binding Pathway.

Authors:  Timothy S Carpenter; Felice C Lightstone
Journal:  PLoS Comput Biol       Date:  2016-04-27       Impact factor: 4.475
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