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
Website :
Directory :
| 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 : Miao_2014_Chem.Biol.Drug.Des_83_237 |
| ESTHER : Miao_2014_Chem.Biol.Drug.Des_83_237 |
| 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 : Tikhonova_2013_Biochemistry_52_5593 |
| ESTHER : Tikhonova_2013_Biochemistry_52_5593 |
| 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 : Cheng_2012_Comput.Sci.Discov_5_ |
| ESTHER : Cheng_2012_Comput.Sci.Discov_5_ |
| 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 : Lu_2010_PMC.Biophys_3_1 |
| ESTHER : Lu_2010_PMC.Biophys_3_1 |
| 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 : Babakhani_2009_Comput.Biol.Chem_33_160 |
| ESTHER : Babakhani_2009_Comput.Biol.Chem_33_160 |
| PubMedSearch : Babakhani_2009_Comput.Biol.Chem_33_160 |
| PubMedID: 19186108 |
| 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 : Cheng_2009_Biophys.J_96_4502 |
| ESTHER : Cheng_2009_Biophys.J_96_4502 |
| PubMedSearch : Cheng_2009_Biophys.J_96_4502 |
| PubMedID: 19486673 |
| 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 : Wang_2009_Biophys.J_96_3582 |
| ESTHER : Wang_2009_Biophys.J_96_3582 |
| PubMedSearch : Wang_2009_Biophys.J_96_3582 |
| PubMedID: 19413963 |
| 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 : Zhou_2008_J.Phys.Chem.B_112_270 |
| ESTHER : Zhou_2008_J.Phys.Chem.B_112_270 |
| 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 : Cheng_2008_Chem.Biol.Interact_175_196 |
| ESTHER : Cheng_2008_Chem.Biol.Interact_175_196 |
| 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 : Gorfe_2008_Biophys.J_94_1144 |
| ESTHER : Gorfe_2008_Biophys.J_94_1144 |
| PubMedSearch : Gorfe_2008_Biophys.J_94_1144 |
| PubMedID: 17921202 |
| 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 : Wang_2008_PLoS.Comput.Biol_4_e41 |
| ESTHER : Wang_2008_PLoS.Comput.Biol_4_e41 |
| PubMedSearch : Wang_2008_PLoS.Comput.Biol_4_e41 |
| PubMedID: 18282090 |
| 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 : Lu_2007_J.Chem.Phys_127_135102 |
| ESTHER : Lu_2007_J.Chem.Phys_127_135102 |
| PubMedSearch : Lu_2007_J.Chem.Phys_127_135102 |
| PubMedID: 17919055 |
| 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 : Cheng_2007_J.Am.Chem.Soc_129_6562 |
| ESTHER : Cheng_2007_J.Am.Chem.Soc_129_6562 |
| 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 : Cheng_2007_Biophys.J_92_3397 |
| ESTHER : Cheng_2007_Biophys.J_92_3397 |
| PubMedSearch : Cheng_2007_Biophys.J_92_3397 |
| PubMedID: 17307827 |
| 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 : Cheng_2007_Biophys.J_93_2622 |
| ESTHER : Cheng_2007_Biophys.J_93_2622 |
| PubMedSearch : Cheng_2007_Biophys.J_93_2622 |
| PubMedID: 17573436 |
| 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 : Ivanov_2007_J.Am.Chem.Soc_129_8217 |
| ESTHER : Ivanov_2007_J.Am.Chem.Soc_129_8217 |
| PubMedSearch : Ivanov_2007_J.Am.Chem.Soc_129_8217 |
| PubMedID: 17552523 |
| 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 : Bui_2006_Proc.Natl.Acad.Sci.U.S.A_103_15451 |
| ESTHER : Bui_2006_Proc.Natl.Acad.Sci.U.S.A_103_15451 |
| 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 : Lu_2006_Proc.Natl.Acad.Sci.U.S.A_103_19314 |
| ESTHER : Lu_2006_Proc.Natl.Acad.Sci.U.S.A_103_19314 |
| PubMedSearch : Lu_2006_Proc.Natl.Acad.Sci.U.S.A_103_19314 |
| PubMedID: 17148613 |
| 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 : Senapati_2006_J.Med.Chem_49_6222 |
| ESTHER : Senapati_2006_J.Med.Chem_49_6222 |
| PubMedSearch : Senapati_2006_J.Med.Chem_49_6222 |
| PubMedID: 17034128 |
| 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 : Cheng_2006_PLoS.Comput.Biol_2_e134 |
| ESTHER : Cheng_2006_PLoS.Comput.Biol_2_e134 |
| PubMedSearch : Cheng_2006_PLoS.Comput.Biol_2_e134 |
| PubMedID: 17009865 |
| 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 : Bui_2006_Biophys.J_90_3280 |
| ESTHER : Bui_2006_Biophys.J_90_3280 |
| PubMedSearch : Bui_2006_Biophys.J_90_3280 |
| PubMedID: 16473897 |
| 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 : Zhang_2005_Biophys.J_88_1659 |
| ESTHER : Zhang_2005_Biophys.J_88_1659 |
| PubMedSearch : Zhang_2005_Biophys.J_88_1659 |
| PubMedID: 15626705 |
| 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 : Senapati_2005_J.Med.Chem_48_8155 |
| ESTHER : Senapati_2005_J.Med.Chem_48_8155 |
| PubMedSearch : Senapati_2005_J.Med.Chem_48_8155 |
| PubMedID: 16366597 |
| 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 : Bui_2005_Chem.Biol.Interact_157-158_357 |
| ESTHER : Bui_2005_Chem.Biol.Interact_157-158_357 |
| 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 : Zhang_2005_PLoS.Comput.Biol_1_e62 |
| ESTHER : Zhang_2005_PLoS.Comput.Biol_1_e62 |
| PubMedSearch : Zhang_2005_PLoS.Comput.Biol_1_e62 |
| PubMedID: 16299589 |
| 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 : Henchman_2005_Biophys.J_88_2564 |
| ESTHER : Henchman_2005_Biophys.J_88_2564 |
| PubMedSearch : Henchman_2005_Biophys.J_88_2564 |
| PubMedID: 15665135 |
| 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 : Gao_2005_J.Biol.Chem_280_8443 |
| ESTHER : Gao_2005_J.Biol.Chem_280_8443 |
| PubMedSearch : Gao_2005_J.Biol.Chem_280_8443 |
| PubMedID: 15591050 |
| 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 : 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 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 : 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 : Bui_2004_J.Am.Chem.Soc_126_7198 |
| ESTHER : Bui_2004_J.Am.Chem.Soc_126_7198 |
| PubMedSearch : Bui_2004_J.Am.Chem.Soc_126_7198 |
| PubMedID: 15186156 |
| 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 : Song_2004_Biophys.J_86_2017 |
| ESTHER : Song_2004_Biophys.J_86_2017 |
| PubMedSearch : Song_2004_Biophys.J_86_2017 |
| PubMedID: 15041644 |
| 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 : 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 : Kua_2003_Protein.Sci_12_2675 |
| ESTHER : Kua_2003_Protein.Sci_12_2675 |
| PubMedSearch : Kua_2003_Protein.Sci_12_2675 |
| PubMedID: 14627729 |
| 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 : Bui_2003_Biophys.J_85_2267 |
| ESTHER : Bui_2003_Biophys.J_85_2267 |
| PubMedSearch : Bui_2003_Biophys.J_85_2267 |
| PubMedID: 14507691 |
| 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 : Henchman_2003_Biophys.J_85_3007 |
| ESTHER : Henchman_2003_Biophys.J_85_3007 |
| PubMedSearch : Henchman_2003_Biophys.J_85_3007 |
| PubMedID: 14581202 |
| 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 : Shi_2003_J.Biol.Chem_278_30905 |
| ESTHER : Shi_2003_J.Biol.Chem_278_30905 |
| PubMedSearch : Shi_2003_J.Biol.Chem_278_30905 |
| PubMedID: 12759360 |
| 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 : Henchman_2002_Protein.Sci_11_2080 |
| ESTHER : Henchman_2002_Protein.Sci_11_2080 |
| 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 : Henchman_2002_Biophys.J_82_2671 |
| ESTHER : Henchman_2002_Biophys.J_82_2671 |
| 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 : Kua_2002_J.Am.Chem.Soc_124_8260 |
| ESTHER : Kua_2002_J.Am.Chem.Soc_124_8260 |
| 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 : Shen_2002_Acc.Chem.Res_35_332 |
| ESTHER : Shen_2002_Acc.Chem.Res_35_332 |
| PubMedSearch : Shen_2002_Acc.Chem.Res_35_332 |
| PubMedID: 12069617 |
| 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 : Zhang_2002_J.Am.Chem.Soc_124_10572 |
| ESTHER : Zhang_2002_J.Am.Chem.Soc_124_10572 |
| 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 : Tai_2002_J.Am.Chem.Soc_124_6153 |
| ESTHER : Tai_2002_J.Am.Chem.Soc_124_6153 |
| PubMedSearch : Tai_2002_J.Am.Chem.Soc_124_6153 |
| PubMedID: 12022850 |
| 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 : Shen_2001_Phys.Rev.E.Stat.Nonlin.Soft.Matter.Phys_63_041902 |
| ESTHER : Shen_2001_Phys.Rev.E.Stat.Nonlin.Soft.Matter.Phys_63_041902 |
| 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 : Ondrechen_2001_J.Am.Chem.Soc_123_2830 |
| ESTHER : Ondrechen_2001_J.Am.Chem.Soc_123_2830 |
| PubMedSearch : Ondrechen_2001_J.Am.Chem.Soc_123_2830 |
| PubMedID: 11456969 |
| 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 : Tai_2001_Biophys.J_81_715 |
| ESTHER : Tai_2001_Biophys.J_81_715 |
| PubMedSearch : Tai_2001_Biophys.J_81_715 |
| PubMedID: 11463620 |
| 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 : Wlodek_2000_Biopolymers_53_265 |
| ESTHER : Wlodek_2000_Biopolymers_53_265 |
| PubMedSearch : Wlodek_2000_Biopolymers_53_265 |
| PubMedID: 10679631 |
| 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 : Baker_1999_Proteins_36_447 |
| ESTHER : Baker_1999_Proteins_36_447 |
| PubMedSearch : Baker_1999_Proteins_36_447 |
| PubMedID: 10450086 |
| 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 : Elcock_1999_J.Mol.Biol_291_149 |
| ESTHER : Elcock_1999_J.Mol.Biol_291_149 |
| PubMedSearch : Elcock_1999_J.Mol.Biol_291_149 |
| PubMedID: 10438612 |
| 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 : Tara_1999_Biopolymers_50_347 |
| ESTHER : Tara_1999_Biopolymers_50_347 |
| PubMedSearch : Tara_1999_Biopolymers_50_347 |
| PubMedID: 10423544 |
| 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 : Tara_1999_Biopolymers_50_35 |
| ESTHER : Tara_1999_Biopolymers_50_35 |
| PubMedSearch : Tara_1999_Biopolymers_50_35 |
| PubMedID: 10341665 |
| 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 : Tara_1998_Biopolymers_46_465 |
| ESTHER : Tara_1998_Biopolymers_46_465 |
| 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 : Zhou_1998_Proc.Natl.Acad.Sci.U.S.A_95_9280 |
| ESTHER : Zhou_1998_Proc.Natl.Acad.Sci.U.S.A_95_9280 |
| 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 : 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 : Zhou_1998_Biopolymers_45_355 |
| ESTHER : Zhou_1998_Biopolymers_45_355 |
| PubMedSearch : Zhou_1998_Biopolymers_45_355 |
| PubMedID: 9530014 |
| 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 : Radic_1997_J.Biol.Chem_272_23265 |
| ESTHER : Radic_1997_J.Biol.Chem_272_23265 |
| 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 : Antosiewicz_1996_Biopolymers_39_85 |
| ESTHER : Antosiewicz_1996_Biopolymers_39_85 |
| 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 : Wlodek_1996_Biopolymers_38_109 |
| ESTHER : Wlodek_1996_Biopolymers_38_109 |
| 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 : Antosiewicz_1995_Biochemistry_34_4211 |
| ESTHER : Antosiewicz_1995_Biochemistry_34_4211 |
| 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 : Antosiewicz_1995_Biophys.J_68_62 |
| ESTHER : Antosiewicz_1995_Biophys.J_68_62 |
| 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 : Gilson_1994_Science_263_1276 |
| ESTHER : Gilson_1994_Science_263_1276 |
| 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 : Tan_1993_Biochemistry_32_401 |
| ESTHER : Tan_1993_Biochemistry_32_401 |
| PubMedSearch : Tan_1993_Biochemistry_32_401 |
| PubMedID: 8422348 |