McCammon JA

General

Full name : McCammon J. Andrew

First name : J. Andrew

Mail : Department of Pharmacology, M\/C 0365, UCSD, 9500 Gilman Drive, La Jolla, CA 92093-0636

Zip Code :

City :

Country : USA

Email : jmccammon@ucsd.edu

Phone : 619-534-2905

Fax : 619-534-7042

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Comment

References (66)

Title : Mapping of allosteric druggable sites in activation-associated conformers of the m2 muscarinic receptor - Miao_2014_Chem.Biol.Drug.Des_83_237
Author(s) : Miao Y , Nichols SE , McCammon JA
Ref : Chemical Biology Drug Des , 83 :237 , 2014
Abstract :
PubMedSearch : Miao_2014_Chem.Biol.Drug.Des_83_237
PubMedID: 24112716

Title : Simulations of biased agonists in the beta(2) adrenergic receptor with accelerated molecular dynamics - Tikhonova_2013_Biochemistry_52_5593
Author(s) : Tikhonova IG , Selvam B , Ivetac A , Wereszczynski J , McCammon JA
Ref : Biochemistry , 52 :5593 , 2013
Abstract :
PubMedSearch : Tikhonova_2013_Biochemistry_52_5593
PubMedID: 23879802

Title : Multi-Scale Continuum Modeling of Biological Processes: From Molecular Electro-Diffusion to Sub-Cellular Signaling Transduction - Cheng_2012_Comput.Sci.Discov_5_
Author(s) : Cheng Y , Kekenes-Huskey P , Hake J , Holst M , McCammon JA , Michailova A
Ref : Comput Sci Discov , 5 : , 2012
Abstract :
PubMedSearch : Cheng_2012_Comput.Sci.Discov_5_
PubMedID: 23505398

Title : Kinetics of diffusion-controlled enzymatic reactions with charged substrates - Lu_2010_PMC.Biophys_3_1
Author(s) : Lu B , McCammon JA
Ref : PMC Biophys , 3 :1 , 2010
Abstract :
PubMedSearch : Lu_2010_PMC.Biophys_3_1
PubMedID: 20157429

Title : A virtual screening study of the acetylcholine binding protein using a relaxed-complex approach - Babakhani_2009_Comput.Biol.Chem_33_160
Author(s) : Babakhani A , Talley TT , Taylor P , McCammon JA
Ref : Comput Biol Chem , 33 :160 , 2009
Abstract :
PubMedSearch : Babakhani_2009_Comput.Biol.Chem_33_160
PubMedID: 19186108

Title : Single-channel current through nicotinic receptor produced by closure of binding site C-loop - Wang_2009_Biophys.J_96_3582
Author(s) : Wang HL , Toghraee R , Papke D , Cheng XL , McCammon JA , Ravaioli U , Sine SM
Ref : Biophysical Journal , 96 :3582 , 2009
Abstract :
PubMedSearch : Wang_2009_Biophys.J_96_3582
PubMedID: 19413963

Title : Molecular-dynamics simulations of ELIC-a prokaryotic homologue of the nicotinic acetylcholine receptor - Cheng_2009_Biophys.J_96_4502
Author(s) : Cheng X , Ivanov I , Wang H , Sine SM , McCammon JA
Ref : Biophysical Journal , 96 :4502 , 2009
Abstract :
PubMedSearch : Cheng_2009_Biophys.J_96_4502
PubMedID: 19486673

Title : Control of cation permeation through the nicotinic receptor channel - Wang_2008_PLoS.Comput.Biol_4_e41
Author(s) : Wang HL , Cheng X , Taylor P , McCammon JA , Sine SM
Ref : PLoS Comput Biol , 4 :e41 , 2008
Abstract :
PubMedSearch : Wang_2008_PLoS.Comput.Biol_4_e41
PubMedID: 18282090

Title : Continuum simulations of acetylcholine consumption by acetylcholinesterase: a Poisson-Nernst-Planck approach - Zhou_2008_J.Phys.Chem.B_112_270
Author(s) : Zhou YC , Lu B , Huber GA , Holst MJ , McCammon JA
Ref : J Phys Chem B , 112 :270 , 2008
Abstract :
PubMedSearch : Zhou_2008_J.Phys.Chem.B_112_270
PubMedID: 18052268

Title : Acetylcholinesterase: mechanisms of covalent inhibition of H447I mutant determined by computational analyses - Cheng_2008_Chem.Biol.Interact_175_196
Author(s) : Cheng YH , Cheng XL , Radic Z , McCammon JA
Ref : Chemico-Biological Interactions , 175 :196 , 2008
Abstract :
PubMedSearch : Cheng_2008_Chem.Biol.Interact_175_196
PubMedID: 18657802

Title : Dynamics of the acetylcholinesterase tetramer - Gorfe_2008_Biophys.J_94_1144
Author(s) : Gorfe AA , Chang CE , Ivanov I , McCammon JA
Ref : Biophysical Journal , 94 :1144 , 2008
Abstract :
PubMedSearch : Gorfe_2008_Biophys.J_94_1144
PubMedID: 17921202

Title : Barriers to ion translocation in cationic and anionic receptors from the Cys-loop family - Ivanov_2007_J.Am.Chem.Soc_129_8217
Author(s) : Ivanov I , Cheng X , Sine SM , McCammon JA
Ref : J Am Chem Soc , 129 :8217 , 2007
Abstract :
PubMedSearch : Ivanov_2007_J.Am.Chem.Soc_129_8217
PubMedID: 17552523

Title : Acetylcholinesterase: mechanisms of covalent inhibition of wild-type and H447I mutant determined by computational analyses - Cheng_2007_J.Am.Chem.Soc_129_6562
Author(s) : Cheng Y , Cheng X , Radic Z , McCammon JA
Ref : Journal of the American Chemical Society , 129 :6562 , 2007
Abstract :
PubMedSearch : Cheng_2007_J.Am.Chem.Soc_129_6562
PubMedID: 17461584

Title : Finite element analysis of the time-dependent Smoluchowski equation for acetylcholinesterase reaction rate calculations - Cheng_2007_Biophys.J_92_3397
Author(s) : Cheng Y , Suen JK , Zhang D , Bond SD , Zhang Y , Song Y , Baker NA , Bajaj CL , Holst MJ , McCammon JA
Ref : Biophysical Journal , 92 :3397 , 2007
Abstract :
PubMedSearch : Cheng_2007_Biophys.J_92_3397
PubMedID: 17307827

Title : Electrodiffusion: a continuum modeling framework for biomolecular systems with realistic spatiotemporal resolution - Lu_2007_J.Chem.Phys_127_135102
Author(s) : Lu B , Zhou YC , Huber GA , Bond SD , Holst MJ , McCammon JA
Ref : J Chem Phys , 127 :135102 , 2007
Abstract :
PubMedSearch : Lu_2007_J.Chem.Phys_127_135102
PubMedID: 17919055

Title : Nanosecond-timescale conformational dynamics of the human alpha7 nicotinic acetylcholine receptor - Cheng_2007_Biophys.J_93_2622
Author(s) : Cheng X , Ivanov I , Wang H , Sine SM , McCammon JA
Ref : Biophysical Journal , 93 :2622 , 2007
Abstract :
PubMedSearch : Cheng_2007_Biophys.J_93_2622
PubMedID: 17573436

Title : Conformational transitions in protein-protein association: binding of fasciculin-2 to acetylcholinesterase - Bui_2006_Biophys.J_90_3280
Author(s) : Bui JM , Radic Z , Taylor P , McCammon JA
Ref : Biophysical Journal , 90 :3280 , 2006
Abstract :
PubMedSearch : Bui_2006_Biophys.J_90_3280
PubMedID: 16473897

Title : Protein complex formation by acetylcholinesterase and the neurotoxin fasciculin-2 appears to involve an induced-fit mechanism - Bui_2006_Proc.Natl.Acad.Sci.U.S.A_103_15451
Author(s) : Bui JM , McCammon JA
Ref : Proc Natl Acad Sci U S A , 103 :15451 , 2006
Abstract :
PubMedSearch : Bui_2006_Proc.Natl.Acad.Sci.U.S.A_103_15451
PubMedID: 17021015

Title : Order N algorithm for computation of electrostatic interactions in biomolecular systems - Lu_2006_Proc.Natl.Acad.Sci.U.S.A_103_19314
Author(s) : Lu B , Cheng X , Huang J , McCammon JA
Ref : Proc Natl Acad Sci U S A , 103 :19314 , 2006
Abstract :
PubMedSearch : Lu_2006_Proc.Natl.Acad.Sci.U.S.A_103_19314
PubMedID: 17148613

Title : Targeted molecular dynamics study of C-loop closure and channel gating in nicotinic receptors - Cheng_2006_PLoS.Comput.Biol_2_e134
Author(s) : Cheng X , Wang H , Grant B , Sine SM , McCammon JA
Ref : PLoS Comput Biol , 2 :e134 , 2006
Abstract :
PubMedSearch : Cheng_2006_PLoS.Comput.Biol_2_e134
PubMedID: 17009865

Title : In-situ synthesis of a tacrine-triazole-based inhibitor of acetylcholinesterase: configurational selection imposed by steric interactions - Senapati_2006_J.Med.Chem_49_6222
Author(s) : Senapati S , Cheng Y , McCammon JA
Ref : Journal of Medicinal Chemistry , 49 :6222 , 2006
Abstract :
PubMedSearch : Senapati_2006_J.Med.Chem_49_6222
PubMedID: 17034128

Title : Agonist-mediated conformational changes in acetylcholine-binding protein revealed by simulation and intrinsic tryptophan fluorescence - Gao_2005_J.Biol.Chem_280_8443
Author(s) : Gao F , Bren N , Burghardt TP , Hansen S , Henchman RH , Taylor P , McCammon JA , Sine SM
Ref : Journal of Biological Chemistry , 280 :8443 , 2005
Abstract :
PubMedSearch : Gao_2005_J.Biol.Chem_280_8443
PubMedID: 15591050

Title : The entropic cost of protein-protein association: a case study on acetylcholinesterase binding to fasciculin-2 -
Author(s) : Minh DD , Bui JM , Chang CE , Jain T , Swanson JM , McCammon JA
Ref : Biophysical Journal , 89 :L25 , 2005
PubMedID: 16100267

Title : Induced fit in mouse acetylcholinesterase upon binding a femtomolar inhibitor: a molecular dynamics study - Senapati_2005_J.Med.Chem_48_8155
Author(s) : Senapati S , Bui JM , McCammon JA
Ref : Journal of Medicinal Chemistry , 48 :8155 , 2005
Abstract :
PubMedSearch : Senapati_2005_J.Med.Chem_48_8155
PubMedID: 16366597

Title : Ligand-induced conformational change in the alpha7 nicotinic receptor ligand binding domain - Henchman_2005_Biophys.J_88_2564
Author(s) : Henchman RH , Wang HL , Sine SM , Taylor P , McCammon JA
Ref : Biophysical Journal , 88 :2564 , 2005
Abstract :
PubMedSearch : Henchman_2005_Biophys.J_88_2564
PubMedID: 15665135

Title : Tetrameric mouse acetylcholinesterase: continuum diffusion rate calculations by solving the steady-state Smoluchowski equation using finite element methods - Zhang_2005_Biophys.J_88_1659
Author(s) : Zhang D , Suen J , Zhang Y , Song Y , Radic Z , Taylor P , Holst MJ , Bajaj C , Baker NA , McCammon JA
Ref : Biophysical Journal , 88 :1659 , 2005
Abstract :
PubMedSearch : Zhang_2005_Biophys.J_88_1659
PubMedID: 15626705

Title : Acetylcholinesterase: pivotal roles of its long omega loop (Cys69-Cys96) in regulating substrate binding - Bui_2005_Chem.Biol.Interact_157-158_357
Author(s) : Bui JM , McCammon JA
Ref : Chemico-Biological Interactions , 157-158 :357 , 2005
Abstract :
PubMedSearch : Bui_2005_Chem.Biol.Interact_157-158_357
PubMedID: 16429484

Title : The association of tetrameric acetylcholinesterase with ColQ tail: a block normal mode analysis - Zhang_2005_PLoS.Comput.Biol_1_e62
Author(s) : Zhang D , McCammon JA
Ref : PLoS Comput Biol , 1 :e62 , 2005
Abstract :
PubMedSearch : Zhang_2005_PLoS.Comput.Biol_1_e62
PubMedID: 16299589

Title : Influence of water on the function of acetylcholinesterase. -
Author(s) : Henchman R , Tai K , Shen T , McCammon JA
Ref : Cholinergic Mechanisms, CRC Press :589 , 2004
PubMedID:

Title : Finite element solution of the steady-state Smoluchowski equation for rate constant calculations - Song_2004_Biophys.J_86_2017
Author(s) : Song Y , Zhang Y , Shen T , Bajaj CL , McCammon JA , Baker NA
Ref : Biophysical Journal , 86 :2017 , 2004
Abstract :
PubMedSearch : Song_2004_Biophys.J_86_2017
PubMedID: 15041644

Title : Poster (69) The dynamics of ligand barrier-crossing transitions inside. the acetylcholinesterase gorge -
Author(s) : Bui JM , Straatsma T , McCammon JA
Ref : In: Cholinesterases in the Second Millennium: Biomolecular and Pathological Aspects , (Inestrosa NC, Campos EO) P. Universidad Catolica de Chile-FONDAP Biomedicina :357 , 2004
PubMedID:

Title : Acetylcholinesterase: enhanced fluctuations and alternative routes to the active site in the complex with fasciculin-2 - Bui_2004_J.Am.Chem.Soc_126_7198
Author(s) : Bui JM , Tai K , McCammon JA
Ref : Journal of the American Chemical Society , 126 :7198 , 2004
Abstract :
PubMedSearch : Bui_2004_J.Am.Chem.Soc_126_7198
PubMedID: 15186156

Title : The displacement of ligand through the bottleneck region of the acetylcholinesterase gorge -
Author(s) : Bui JM , McCammon JA
Ref : In: Cholinesterases in the Second Millennium: Biomolecular and Pathological Aspects , (Inestrosa NC, Campos EO) P. Universidad Catolica de Chile-FONDAP Biomedicina :207 , 2004
PubMedID:

Title : Mechanism of acetylcholinesterase inhibition by fasciculin. -
Author(s) : Tai K , Shen T , Henchman RH , Bourne Y , Marchot P , McCammon JA
Ref : Cholinergic Mechanisms, CRC Press :727 , 2004
PubMedID:

Title : The dynamics of ligand barrier crossing inside the acetylcholinesterase gorge - Bui_2003_Biophys.J_85_2267
Author(s) : Bui JM , Henchman RH , McCammon JA
Ref : Biophysical Journal , 85 :2267 , 2003
Abstract :
PubMedSearch : Bui_2003_Biophys.J_85_2267
PubMedID: 14507691

Title : Nanosecond dynamics of the mouse acetylcholinesterase cys69-cys96 omega loop - Shi_2003_J.Biol.Chem_278_30905
Author(s) : Shi J , Tai K , McCammon JA , Taylor P , Johnson DA
Ref : Journal of Biological Chemistry , 278 :30905 , 2003
Abstract :
PubMedSearch : Shi_2003_J.Biol.Chem_278_30905
PubMedID: 12759360

Title : Studying the roles of W86, E202, and Y337 in binding of acetylcholine to acetylcholinesterase using a combined molecular dynamics and multiple docking approach - Kua_2003_Protein.Sci_12_2675
Author(s) : Kua J , Zhang Y , Eslami AC , Butler JR , McCammon JA
Ref : Protein Science , 12 :2675 , 2003
Abstract :
PubMedSearch : Kua_2003_Protein.Sci_12_2675
PubMedID: 14627729

Title : Asymmetric structural motions of the homomeric alpha7 nicotinic receptor ligand binding domain revealed by molecular dynamics simulation - Henchman_2003_Biophys.J_85_3007
Author(s) : Henchman RH , Wang HL , Sine SM , Taylor P , McCammon JA
Ref : Biophysical Journal , 85 :3007 , 2003
Abstract :
PubMedSearch : Henchman_2003_Biophys.J_85_3007
PubMedID: 14581202

Title : Role of the Catalytic Triad and Oxyanion Hole in Acetylcholinesterase Catalysis: An ab initio QM\/MM Study - Zhang_2002_J.Am.Chem.Soc_124_10572
Author(s) : Zhang Y , Kua J , McCammon JA
Ref : J Am Chem Soc , 124 :10572 , 2002
Abstract :
PubMedSearch : Zhang_2002_J.Am.Chem.Soc_124_10572
PubMedID: 12197759

Title : Mechanism of acetylcholinesterase inhibition by fasciculin: a 5-ns molecular dynamics simulation - Tai_2002_J.Am.Chem.Soc_124_6153
Author(s) : Tai K , Shen T , Henchman RH , Bourne Y , Marchot P , McCammon JA
Ref : Journal of the American Chemical Society , 124 :6153 , 2002
Abstract :
PubMedSearch : Tai_2002_J.Am.Chem.Soc_124_6153
PubMedID: 12022850

Title : Structural and dynamic properties of water around acetylcholinesterase - Henchman_2002_Protein.Sci_11_2080
Author(s) : Henchman RH , McCammon JA
Ref : Protein Science , 11 :2080 , 2002
Abstract :
PubMedSearch : Henchman_2002_Protein.Sci_11_2080
PubMedID: 12192064

Title : Properties of water molecules in the active site gorge of acetylcholinesterase from computer simulation - Henchman_2002_Biophys.J_82_2671
Author(s) : Henchman RH , Tai K , Shen T , McCammon JA
Ref : Biophysical Journal , 82 :2671 , 2002
Abstract :
PubMedSearch : Henchman_2002_Biophys.J_82_2671
PubMedID: 11964254

Title : Studying enzyme binding specificity in acetylcholinesterase using a combined molecular dynamics and multiple docking approach - Kua_2002_J.Am.Chem.Soc_124_8260
Author(s) : Kua J , Zhang Y , McCammon JA
Ref : J Am Chem Soc , 124 :8260 , 2002
Abstract :
PubMedSearch : Kua_2002_J.Am.Chem.Soc_124_8260
PubMedID: 12105904

Title : Molecular dynamics of acetylcholinesterase - Shen_2002_Acc.Chem.Res_35_332
Author(s) : Shen T , Tai K , Henchman RH , McCammon JA
Ref : Acc Chem Res , 35 :332 , 2002
Abstract :
PubMedSearch : Shen_2002_Acc.Chem.Res_35_332
PubMedID: 12069617

Title : Analysis of a 10-ns molecular dynamics simulation of mouse acetylcholinesterase - Tai_2001_Biophys.J_81_715
Author(s) : Tai K , Shen T , Borjesson U , Philippopoulos M , McCammon JA
Ref : Biophysical Journal , 81 :715 , 2001
Abstract :
PubMedSearch : Tai_2001_Biophys.J_81_715
PubMedID: 11463620

Title : Statistical analysis of the fractal gating motions of the enzyme acetylcholinesterase - Shen_2001_Phys.Rev.E.Stat.Nonlin.Soft.Matter.Phys_63_041902
Author(s) : Shen TY , Tai K , McCammon JA
Ref : Phys Rev E Stat Nonlin Soft Matter Phys , 63 :041902 , 2001
Abstract :
PubMedSearch : Shen_2001_Phys.Rev.E.Stat.Nonlin.Soft.Matter.Phys_63_041902
PubMedID: 11308872

Title : A model for enzyme-substrate interaction in alanine racemase - Ondrechen_2001_J.Am.Chem.Soc_123_2830
Author(s) : Ondrechen MJ , Briggs JM , McCammon JA
Ref : J Am Chem Soc , 123 :2830 , 2001
Abstract :
PubMedSearch : Ondrechen_2001_J.Am.Chem.Soc_123_2830
PubMedID: 11456969

Title : Electrostatic steering of substrate to acetylcholinesterase: analysis of field fluctuations - Wlodek_2000_Biopolymers_53_265
Author(s) : Wlodek ST , Shen T , McCammon JA
Ref : Biopolymers , 53 :265 , 2000
Abstract :
PubMedSearch : Wlodek_2000_Biopolymers_53_265
PubMedID: 10679631

Title : Molecular dynamics of mouse acetylcholinesterase complexed with huperzine A - Tara_1999_Biopolymers_50_347
Author(s) : Tara S , Helms V , Straatsma TP , McCammon JA
Ref : Biopolymers , 50 :347 , 1999
Abstract :
PubMedSearch : Tara_1999_Biopolymers_50_347
PubMedID: 10423544

Title : Dynamical properties of fasciculin-2 - Baker_1999_Proteins_36_447
Author(s) : Baker NA , Helms V , McCammon JA
Ref : Proteins , 36 :447 , 1999
Abstract :
PubMedSearch : Baker_1999_Proteins_36_447
PubMedID: 10450086

Title : Mouse acetylcholinesterase unliganded and in complex with huperzine A: a comparison of molecular dynamics simulations - Tara_1999_Biopolymers_50_35
Author(s) : Tara S , Straatsma TP , McCammon JA
Ref : Biopolymers , 50 :35 , 1999
Abstract :
PubMedSearch : Tara_1999_Biopolymers_50_35
PubMedID: 10341665

Title : Computer Simulation of Protein-Protein Association Kinetics: Acetylcholinesterase-Fasciculin - Elcock_1999_J.Mol.Biol_291_149
Author(s) : Elcock AH , Gabdoulline RR , Wade RC , McCammon JA
Ref : Journal of Molecular Biology , 291 :149 , 1999
Abstract :
PubMedSearch : Elcock_1999_J.Mol.Biol_291_149
PubMedID: 10438612

Title : Correlation between rate of enzyme-substrate diffusional encounter and average Boltzmann factor around active site - Zhou_1998_Biopolymers_45_355
Author(s) : Zhou HX , Briggs JM , Tara S , McCammon JA
Ref : Biopolymers , 45 :355 , 1998
Abstract :
PubMedSearch : Zhou_1998_Biopolymers_45_355
PubMedID: 9530014

Title : Rapid binding of a cationic active site inhibitor to wild type and mutant mouse acetylcholinesterase: Brownian dynamics simulation including diffusion in the active site gorge - Tara_1998_Biopolymers_46_465
Author(s) : Tara S , Elcock AH , Kirchhoff PD , Briggs JM , Radic Z , Taylor P , McCammon JA
Ref : Biopolymers , 46 :465 , 1998
Abstract :
PubMedSearch : Tara_1998_Biopolymers_46_465
PubMedID: 9838872

Title : Conformation gating as a mechanism for enzyme specificity - Zhou_1998_Proc.Natl.Acad.Sci.U.S.A_95_9280
Author(s) : Zhou HX , Wlodek ST , McCammon JA
Ref : Proceedings of the National Academy of Sciences of the United States of America , 95 :9280 , 1998
Abstract :
PubMedSearch : Zhou_1998_Proc.Natl.Acad.Sci.U.S.A_95_9280
PubMedID: 9689071

Title : Computer Simulation Studies of Acetylcholinesterase Dynamics and Activity -
Author(s) : McCammon JA , Wlodek ST , Clark TW , Kirchhoff P , Scott LR , Tara S
Ref : In: Structure and Function of Cholinesterases and Related Proteins - Proceedings of Sixth International Meeting on Cholinesterases , (Doctor, B.P., Taylor, P., Quinn, D.M., Rotundo, R.L., Gentry, M.K. Eds) Plenum Publishing Corp. :327 , 1998
PubMedID:

Title : Weighted-Ensemble Brownian Dynamics for Charged Ligand Diffusion onto Acetylcholinesterase -
Author(s) : Baker NA , Huber G , McCammon JA
Ref : In: Structure and Function of Cholinesterases and Related Proteins - Proceedings of Sixth International Meeting on Cholinesterases , (Doctor, B.P., Taylor, P., Quinn, D.M., Rotundo, R.L., Gentry, M.K. Eds) Plenum Publishing Corp. :367 , 1998
PubMedID:

Title : Molecular Dynamics of Acetylcholinesterase Dimer -
Author(s) : Wlodek ST , Clark TW , McCammon JA
Ref : In: Structure and Function of Cholinesterases and Related Proteins - Proceedings of Sixth International Meeting on Cholinesterases , (Doctor, B.P., Taylor, P., Quinn, D.M., Rotundo, R.L., Gentry, M.K. Eds) Plenum Publishing Corp. :369 , 1998
PubMedID:

Title : Electrostatic influence on the kinetics of ligand binding to acetylcholinesterase. Distinctions between active center ligands and fasciculin - Radic_1997_J.Biol.Chem_272_23265
Author(s) : Radic Z , Kirchhoff PD , Quinn DM , McCammon JA , Taylor P
Ref : Journal of Biological Chemistry , 272 :23265 , 1997
Abstract :
PubMedSearch : Radic_1997_J.Biol.Chem_272_23265
PubMedID: 9287336

Title : Acetylcholinesterase: role of the enzyme's charge distribution in steering charged ligands toward the active site - Antosiewicz_1996_Biopolymers_39_85
Author(s) : Antosiewicz J , Wlodek ST , McCammon JA
Ref : Biopolymers , 39 :85 , 1996
Abstract :
PubMedSearch : Antosiewicz_1996_Biopolymers_39_85
PubMedID: 8924629

Title : Binding of tacrine and 6-chlorotacrine by acetylcholinesterase - Wlodek_1996_Biopolymers_38_109
Author(s) : Wlodek ST , Antosiewicz J , McCammon JA , Straatsma TP , Gilson MK , Briggs JM , Humblet C , Sussman JL
Ref : Biopolymers , 38 :109 , 1996
Abstract :
PubMedSearch : Wlodek_1996_Biopolymers_38_109
PubMedID: 8679940

Title : Simulation of charge-mutant acetylcholinesterases - Antosiewicz_1995_Biochemistry_34_4211
Author(s) : Antosiewicz J , McCammon JA , Wlodek ST , Gilson MK
Ref : Biochemistry , 34 :4211 , 1995
Abstract :
PubMedSearch : Antosiewicz_1995_Biochemistry_34_4211
PubMedID: 7703233

Title : Acetylcholinesterase: diffusional encounter rate constants for dumbbell models of ligand - Antosiewicz_1995_Biophys.J_68_62
Author(s) : Antosiewicz J , Gilson MK , Lee IH , McCammon JA
Ref : Biophysical Journal , 68 :62 , 1995
Abstract :
PubMedSearch : Antosiewicz_1995_Biophys.J_68_62
PubMedID: 7711269

Title : Computer Modeling of Acetylcholinesterase and Acetylcholinesterase-Ligand Complexes -
Author(s) : Wlodek ST , Antosiewicz J , Gilson MK , McCammon JA , Clark TW , Scott LR
Ref : In Enzyme of the Cholinesterase Family - Proceedings of Fifth International Meeting on Cholinesterases , (Quinn, D.M., Balasubramanian, A.S., Doctor, B.P., Taylor, P., Eds) Plenum Publishing Corp. :97 , 1995
PubMedID:

Title : Open back door in a molecular dynamics simulation of acetylcholinesterase - Gilson_1994_Science_263_1276
Author(s) : Gilson MK , Straatsma TP , McCammon JA , Ripoll DR , Faerman CH , Axelsen PH , Silman I , Sussman JL
Ref : Science , 263 :1276 , 1994
Abstract :
PubMedSearch : Gilson_1994_Science_263_1276
PubMedID: 8122110

Title : Acetylcholinesterase: electrostatic steering increases the rate of ligand binding - Tan_1993_Biochemistry_32_401
Author(s) : Tan RC , Truong TN , McCammon JA , Sussman JL
Ref : Biochemistry , 32 :401 , 1993
Abstract :
PubMedSearch : Tan_1993_Biochemistry_32_401
PubMedID: 8422348