sobolevnrm's Mccammon:JA [172 articles] Export

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	The gates of ion channels and enzymes [My Copy] Trends in Biochemical Sciences (18 November 2009) by Huan-Xiang Zhou, J. Andrew McCammon posted to molecular_dynamics kinetics by sobolevnrm on 2009-12-12 20:32:16 as along with 1 person barry
	Enzymatic Activity versus Structural Dynamics: The Case of Acetylcholinesterase Tetramer [My Copy] Vol. 97, No. 3. (5 August 2009), pp. 897-905. by Alemayehu A. Gorfe, Benzhuo Lu, Zeyun Yu, J. Andrew McCammon posted to molecular_dynamics kinetics diffusion acetylcholinesterase by sobolevnrm on 2009-10-14 12:33:57 as along with 1 person anuragsethi
	Darwinian biophysics: Electrostatics and evolution in the kinetics of molecular binding [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 19. (12 May 2009), pp. 7683-7684. by J. Andrew McCammon posted to diffusion electrostatics review by sobolevnrm on 2009-05-27 12:02:43 as along with 4 people and 1 group flbarroso apaydin shenjjjj jjray baker-group
	Elucidating the inhibition mechanism of HIV-1 non-nucleoside reverse transcriptase inhibitors through multicopy molecular dynamics simulations. [My Copy] Journal of molecular biology, Vol. 388, No. 3. (8 May 2009), pp. 644-658. by Anthony Ivetac, J. Andrew McCammon posted to enhanced_sampling molecular_simulation protein-ligand_interactions by sobolevnrm on 2009-04-23 12:32:31 as along with 4 people and 1 group ahmetbakan nfparrish bmduggan paulschlesinger baker-group
	Free Energy for the Permeation of Na+ and Cl− Ions and Their Ion-Pair through a Zwitterionic Dimyristoyl Phosphatidylcholine Lipid Bilayer by Umbrella Integration with Harmonic Fourier Beads [My Copy] Journal of the American Chemical Society, Vol. 131, No. 5. (11 February 2009), pp. 1706-1716. by Ilja V. Khavrutskii, Alemayehu A. Gorfe, Benzhuo Lu, J. Andrew McCammon posted to biomembranes electrostatics ion_channels solvation by sobolevnrm on 2009-03-18 11:23:28 as along with 1 person and 1 group softsimu baker-group
	Continuum Simulations of Acetylcholine Consumption by Acetylcholinesterase: A Poisson-Nernst-Planck Approach [My Copy] Journal of Physical Chemistry B, Vol. 112, No. 2. (2008), 270--275. by Y. C. Zhou, B. Lu, G. A. Huber, M. J. Holst, J. A. Mccammon posted to acetylcholinesterase diffusion electrostatics kinetics by sobolevnrm on 2008-12-15 12:52:06 as
	ISIM: A Program for Grand Canonical Monte Carlo Simulations of the Ionic Environment of Biomolecules [My Copy] Molecular Simulation, Vol. 30, No. 1. (2004), pp. 45-61. by A. Vitalis, N. A. Baker, J. A. Mccammon posted to electrostatics software beyond_mean_field molecular_dynamics statistical_mechanics by sobolevnrm on 2008-09-02 12:34:10 as
	ISIM: A Program for Grand Canonical Monte Carlo Simulations of the Ionic Environment of Biomolecules [My Copy] Molecular Simulation, Vol. 30, No. 1. (2004) by A. Vitalis, N. A. Baker, J. A. Mccammon posted to electrostatics software beyond_mean_field statistical_mechanics molecular_dynamics by sobolevnrm on 2008-08-29 13:42:00 as
	ISIM: A Program for Grand Canonical Monte Carlo Simulations of the Ionic Environment of Biomolecules [My Copy] Molecular Simulation, Vol. 30, No. 1. (2004) by A. Vitalis, N. A. Baker, J. A. Mccammon posted to electrostatics software beyond_mean_field statistical_mechanics molecular_dynamics by sobolevnrm on 2008-08-29 13:41:58 as
	Acetylcholinesterase: Mechanisms of covalent inhibition of H447I mutant determined by computational analyses [My Copy] Chemico-Biological Interactions by Y. H. Cheng, X. L. Cheng, Z. Radic, J. A. Mccammon posted to acetylcholinesterase molecular_dynamics protein-ligand_interactions quantum_mechanics by sobolevnrm on 2008-08-18 12:41:34 as
	Barriers to Ion Translocation in Cationic and Anionic Receptors from the Cys-Loop Family [My Copy] J. Am. Chem. Soc., Vol. 129, No. 26. (4 July 2007), pp. 8217-8224. by I. Ivanov, X. Cheng, S. M. Sine, J. A. Mccammon posted to apbs electrostatics ion_channels solvation pdb2pqr by sobolevnrm on 2008-04-17 19:20:11 as along with 1 group baker-group
	The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme. [My Copy] Biopolymers, Vol. 68, No. 1. (January 2003), pp. 47-62. by J. H. Lin, A. L. Perryman, J. R. Schames, J. A. McCammon posted to electrostatics protein-ligand_interactions solvation by sobolevnrm on 2008-04-16 13:47:44 as along with 5 people and 3 groups karinaecomp barry blackbart kazemi LamBras structural_bioinformatics Bioinformatics baker-group
	Electrostatic Free Energy and Its Variations in Implicit Solvent Models [My Copy] J. Phys. Chem. B (15 February 2008) by J. Che, J. Dzubiella, B. Li, J. A. Mccammon posted to electrostatics solvation statistical_mechanics by sobolevnrm on 2008-02-15 12:02:44 as along with 1 group baker-group
	Electrophoretic light scattering from macromolecular solutions and conformational dynamics [My Copy] The Journal of Chemical Physics, Vol. 87, No. 8. (1987), pp. 4339-4343. by J. B. Hubbard, J. A. Mccammon posted to diffusion electrostatics experimental_methodology kinetics by sobolevnrm on 2008-02-09 23:07:21 as along with 1 group baker-group
	Continuum Simulations of Acetylcholine Consumption by Acetylcholinesterase: A Poisson-Nernst-Planck Approach [My Copy] J. Phys. Chem. B, Vol. 112, No. 2. (17 January 2008), pp. 270-275. by Y. C. Zhou, B. Lu, G. A. Huber, M. J. Holst, J. A. Mccammon posted to acetylcholinesterase diffusion electrostatics kinetics by sobolevnrm on 2008-01-10 12:51:17 as along with 1 group baker-group
	A nonlinear elasticity model of macromolecular conformational change induced by electrostatic forces [My Copy] Journal of Mathematical Analysis and Applications, Vol. 340, No. 1. (1 April 2008), pp. 135-164. by Y. C. Zhou, M. Holst, J. A. Mccammon posted to electrostatics mathematics mechanics by sobolevnrm on 2008-01-03 14:16:50 as along with 1 person and 1 group boris_aguilar baker-group
	Estimating kinetic rates from accelerated molecular dynamics simulations: Alanine dipeptide in explicit solvent as a case study [My Copy] The Journal of Chemical Physics, Vol. 127, No. 17. (2007), 175105. by César Augusto, Donald Hamelberg, J. Andrew Mccammon posted to enhanced_sampling kinetics molecular_dynamics by sobolevnrm on 2007-12-17 12:55:05 as along with 1 person and 1 group bmduggan baker-group
	Sampling of slow diffusive conformational transitions with accelerated molecular dynamics [My Copy] The Journal of Chemical Physics, Vol. 127, No. 15. (2007) by D. Hamelberg, C. A. F. de Oliveira, J. A. Mccammon posted to diffusion enhanced_sampling molecular_simulation by sobolevnrm on 2007-11-01 11:10:19 as along with 1 person and 1 group pgasper baker-group
	Solvent reaction field potential inside an uncharged globular protein: A bridge between implicit and explicit solvent models? [My Copy] The Journal of Chemical Physics, Vol. 127, No. 15. (2007), 155101. by D. S. Cerutti, N. A. Baker, J. A. Mccammon posted to electrostatics molecular_simulation nonpolar solvation by sobolevnrm on 2007-10-16 12:13:55 as along with 2 people and 1 group flbarroso onufriev baker-group
	H-ras Protein in a Bilayer: Interaction and Structure Perturbation [My Copy] J. Am. Chem. Soc. (19 September 2007) by A. A. Gorfe, A. Babakhani, J. A. Mccammon posted to biomembranes by sobolevnrm on 2007-09-26 12:13:31 as along with 1 group baker-group
	Application of the level-set method to the implicit solvation of nonpolar molecules [My Copy] The Journal of Chemical Physics, Vol. 127, No. 8. (2007), 084503. by Li T. Cheng, Joachim Dzubiella, J. Andrew Mccammon, Bo Li posted to mathematics solvation by sobolevnrm on 2007-08-27 12:02:36 as along with 2 people and 2 groups afenley csrocha structural_bioinformatics baker-group
	Acetylcholinesterase: Mechanisms of Covalent Inhibition of Wild-Type and H447I Mutant Determined by Computational Analyses [My Copy] Journal of the American Chemical Society (in press) by Y. Cheng, X. Cheng, Z. Radic, J. A. Mccammon posted to acetylcholinesterase quantum_mechanics by sobolevnrm on 2007-05-25 14:38:05 as along with 1 group baker-group
	Exploring Assembly Energetics of the 30S Ribosomal Subunit Using an Implicit Solvent Approach [My Copy] Journal of the American Chemical Society, Vol. 127, No. 31. (2005), pp. 11125-33. by J. Trylska, J. A. Mccammon, Iii posted to electrostatics ribosome solvation by sobolevnrm on 2007-05-25 14:37:08 as along with 1 group baker-group
	Finite Element Analysis of the Time-Dependent Smoluchowski Equation for Acetylcholinesterase Reaction Rate Calculations [My Copy] Biophysical Journal, Vol. 92, No. 10. (2007), pp. 3397-406. by Y. Cheng, J. K. Suen, D. Zhang, et al.S. D. Bond, Y. Zhang, Y. Song, N. A. Baker, C. L. Bajaj, M. J. Holst, J. A. Mccammon posted to acetylcholinesterase diffusion by sobolevnrm on 2007-05-25 14:37:07 as along with 1 person and 1 group stephenbond baker-group
	Improved Boundary Element Methods for Poisson-Boltzmann Electrostatic Potential and Force Calculations [My Copy] Journal of Chemical Theory and Computation (in press) by B. Lu, J. A. Mccammon posted to electrostatics mathematics by sobolevnrm on 2007-05-25 14:37:07 as along with 1 group baker-group
	Continuum simulations of acetylcholine diffusion with reaction-determined boundaries in neuromuscular junction models [My Copy] Biophysical Chemistry, Vol. 127, No. 3. (2007), pp. 129-39. by Y. Cheng, J. K. Suen, Z. Radic, S. D. Bond, M. J. Holst, J. A. Mccammon posted to diffusion neuromuscular_junctions by sobolevnrm on 2007-05-25 14:36:49 as along with 1 group baker-group
	Peptide insertion, positioning, and stabilization in a membrane: Insight from an all-atom molecular dynamics simulation [My Copy] Biopolymers (in press) by A. Babakhani, A. A. Gorfe, J. Gullingsrud, J. E. Kim, J. A. Mccammon posted to biomembranes by sobolevnrm on 2007-05-25 14:36:28 as along with 1 group baker-group
	Substrate concentration dependence of the diffusion-controlled steady-state rate constant [My Copy] Journal of Chemical Physics, Vol. 122 (2007) by J. Dzubiella, J. A. Mccammon posted to diffusion statistical_mechanics by sobolevnrm on 2007-05-25 14:36:04 as along with 1 group baker-group
	Order N algorithm for computation of electrostatic interactions in biomolecular systems [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 103, No. 51. (2006), pp. 19314-9. by B. Lu, X. Cheng, J. Huang, J. A. Mccammon posted to electrostatics mathematics by sobolevnrm on 2007-05-25 14:35:46 as along with 1 group baker-group
	Generalized Born Model with a Simple, Robust Molecular Volume Correction [My Copy] Journal of Chemical Theory and Computation (in press) by J. Mongan, C. Simmerling, J. A. Mccammon, D. A. Case, A. Onufriev posted to electrostatics solvation by sobolevnrm on 2007-05-25 14:35:46 as along with 1 group baker-group
	Optimizing the Poisson Dielectric Bounday with Explicit Solvent Forces and Energies: Lessons Learned with Atom-Centered Dielectric Functions [My Copy] Journal of Chemical Theory and Computation, Vol. 3, No. 1. (2007), pp. 170-83. by J. M. J. Swanson, J. A. Wagoner, N. A. Baker, J. A. Mccammon posted to electrostatics solvation by sobolevnrm on 2007-05-25 14:24:57 as along with 1 group baker-group
	On the Application of Accelerated Molecular Dynamics to Liquid Water Simulations [My Copy] Journal of Physical Chemistry B (in press) by C. A. F. de Oliveira, D. Hamelberg, J. A. Mccammon posted to molecular_dynamics solvation by sobolevnrm on 2007-05-25 14:24:56 as along with 1 group baker-group
	Protein complex formation by acetylcholinesterase and the neurotoxin fasciculin-2 appears to involve an induced-fit mechanism [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 103, No. 42. (2006), pp. 15451-6. by J. M. Bui, J. A. Mccammon posted to acetylcholinesterase allostery molecular_dynamics by sobolevnrm on 2007-05-25 14:23:20 as along with 1 group baker-group
	Insight into the role of hydration on protein dynamics [My Copy] Journal of Chemical Physics, Vol. 125 (2006) by D. Hamelberg, T. Shen, J. A. Mccammon posted to molecular_dynamics solvation by sobolevnrm on 2007-05-25 14:23:20 as along with 1 group baker-group
	Binding of Aminoglycosidic Antibiotics to the Oligonucleotide A-Site Model and 30S Ribosomal Subunit: Poisson-Boltzmann Model, Thermal Denaturation, and Fluorescence Studies [My Copy] Journal of Medicinal Chemistry, Vol. 49, No. 18. (2006), pp. 5478-90. by G. Yang, J. Trylska, Y. Tor, J. A. Mccammon posted to electrostatics nucleic_acids ribosome by sobolevnrm on 2007-05-25 14:23:18 as along with 1 group baker-group
	CIRSE: A solvation energy estimator compatible with flexible protein docking and design applications [My Copy] Protein Science, Vol. 15, No. 7. (2006), pp. 1579-96. by D. S. Cerutti, T. Jain, J. A. Mccammon posted to electrostatics solvation by sobolevnrm on 2007-05-25 14:23:17 as along with 1 group baker-group
	Molecular Dynamics: Survey of Methods for Simulating the Activity of Protein [My Copy] Chemical Reviews, Vol. 106, No. 5. (2006), pp. 1589-615. by S. A. Adcock, J. A. Mccammon posted to molecular_dynamics molecular_simulation by sobolevnrm on 2007-05-25 14:22:46 as along with 1 group baker-group
	Free energy simulations: Correcting for electrostatic cutoffs by use of the Poisson equation [My Copy] Journal of Chemical Physics, Vol. 104, No. 19. (1996), pp. 7645-51. by H. Resat, J. A. Mccammon posted to electrostatics by sobolevnrm on 2007-05-25 14:22:45 as along with 1 group baker-group
	Conformational Transitions in Protein-Protein Association: Binding of Fasciculin-2 to Acetylcholinesterase [My Copy] Biophysical Journal, Vol. 90, No. 9. (2006), pp. 3280-7. by J. M. Bui, Z. Radic, P. Taylor, J. A. Mccammon posted to acetylcholinesterase protein-protein_interactions quasiharmonic_models by sobolevnrm on 2007-05-25 14:22:45 as along with 1 group baker-group
	Open `"`back door`"` in a molecular dynamics simulation of acetylcholinesterase [My Copy] Science, Vol. 263, No. 5151. (1994), pp. 1276-8. by M. K. Gilson, T. P. Straatsma, J. A. Mccammon, et al.D. R. Ripoll, C. H. Faerman, P. H. Axelsen, I. Silman, J. L. Sussman posted to acetylcholinesterase by sobolevnrm on 2007-05-25 14:22:19 as along with 1 group baker-group
	Conformation gating as a mechanism for enzyme specificity [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 95, No. 16. (1998), pp. 9280-3. by H. X. Zhou, S. T. Wlodek, J. A. Mccammon posted to acetylcholinesterase diffusion gating kinetics by sobolevnrm on 2007-05-25 14:22:19 as along with 1 group baker-group
	Electrostatic steering of substrate to acetylcholinesterase: Analysis of field fluctuations [My Copy] Biopolymers, Vol. 53, No. 3. (2000), pp. 265-71. by S. T. Wlodek, T. Shen, J. A. Mccammon posted to acetylcholinesterase electrostatics by sobolevnrm on 2007-05-25 14:22:19 as along with 1 group baker-group
	Statistical analysis of the fractal gating motions of the enzyme acetylcholinesterase [My Copy] Physical Review E, Vol. 64, No. 4. (2001) by T. Y. Shen, K. Tai, J. A. Mccammon posted to acetylcholinesterase by sobolevnrm on 2007-05-25 14:22:19 as along with 1 group baker-group
	Molecular Dynamics of Acetylcholinesterase [My Copy] Accounts of Chemical Research, Vol. 35, No. 6. (2002), pp. 332-40. by T. Shen, K. Tai, R. H. Henchman, J. A. Mccammon posted to acetylcholinesterase by sobolevnrm on 2007-05-25 14:22:19 as along with 1 group baker-group
	Studying Enzyme Binding Specificity in Acetylcholinesterase Using a Combined Molecular Dynamics and Multiple Docking Approach [My Copy] Journal of the American Chemical Society, Vol. 124, No. 28. (2002), pp. 8260-7. by J. Kua, Y. Zhang, J. A. Mccammon posted to acetylcholinesterase by sobolevnrm on 2007-05-25 14:22:19 as along with 1 group baker-group
	Nanosecond Dynamics of the Mouse Acetylcholinesterase Cys69âCys96 Omega Loop [My Copy] Journal of Biological Chemistry, Vol. 278, No. 33. (2003), pp. 30905-11. by J. Shi, K. Tai, J. A. Mccammon, P. Taylor, D. A. Johnson posted to acetylcholinesterase by sobolevnrm on 2007-05-25 14:22:19 as along with 1 group baker-group
	The Dynamics of Ligand Barrier Crossing inside the Acetylcholinesterase Gorge [My Copy] Biophysical Journal, Vol. 85, No. 4. (2003), pp. 2267-72. by J. M. Bui, R. H. Henchman, J. A. Mccammon posted to acetylcholinesterase by sobolevnrm on 2007-05-25 14:22:19 as along with 1 group baker-group
	Studying the roles of W86, E202, and Y337 in binding of acetylcholine to acetylcholinesterase using a combined molecular dynamics and multiple docking approach [My Copy] Protein Science, Vol. 12, No. 12. (2003), pp. 2675-84. by J. Kua, Y. Zhang, A. C. Eslami, J. R. Butler, J. A. Mccammon posted to acetylcholinesterase by sobolevnrm on 2007-05-25 14:22:19 as along with 1 group baker-group
	Coupling Hydrophobicity, Dispersion, and Electrostatics in Continuum Solvent Models [My Copy] Physical Review Letters, Vol. 96 (2006) by J. Dzubiella, J. M. J. Swanson, J. A. Mccammon posted to electrostatics solvation statistical_mechanics by sobolevnrm on 2007-05-25 14:19:55 as along with 1 group baker-group
	Coupling nonpolar and polar solvation free energies in implicit solvent models [My Copy] Journal of Chemical Physics, Vol. 124 (2006) by J. Dzubiella, J. M. J. Swanson, J. A. Mccammon posted to electrostatics solvation by sobolevnrm on 2007-05-25 14:19:55 as along with 1 group baker-group

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electrostatics	2017
solvation	1604
biomembranes	1512
statistical_mechanics	673
mathematics	621
bioinformatics	611
diffusion	528
molecular_dynamics	513
molecular_simulation	511
nucleic_acids	479
multiscale	409
quasiharmonic_models	338
structure	327
nanotech	287
allostery	269
review	209
beyond_mean_field	209
protein_folding	203
protein-protein_interactions	187
systems_biology	186
software	178
kinetics	170
acetylcholinesterase	167
protein-ligand_interactions	167
misc	151
biological_systems	150
experimental_methodology	147
thrombin	143
correlated_mutations	126
neuromuscular_junctions	121
pka	119
protein-nucleic_acid_interactions	116
sterols	113
drug_design	111
outer_hair_cells	104
metalloregulation	96
database	96
cellular_mechanics	91
structure_prediction	91
imaging	86
ontology	85
ccne	84
protein-membrane_interactions	83
quantum_mechanics	83
nonpolar	80
nerve_agents	78
nitric_oxide	74
career	71
visualization	69
emulsions	67
interfaces	57
ligand-membrane_interactions	57
nmr	52
cancer	51
protein_engineering	48
free_energy	44
mechanics	44
integral_equation	41
clustering	41
teaching	39
ion_channels	38
enhanced_sampling	36
ultrasound	33
perfluorocarbons	31
statistics	26
sccne	24
graph_theory	24
programming	23
helicase	22
informatics	21
pgdh	21
flexoelectric	20
fluid_mechanics	17
ribosome	17
drug_delivery	15
molecular-simulation	15
quasiharmonic-models	15
geometry	14
gating	13
toxicity	13
nanotechnology	12
statistical-mechanics	12
apbs	11
energy_landscapes	10
funding	10
pdb2pqr	9
molecular-dynamics	8
nikr	8
cytoskeleton	7
cholesterol	6
electrochemistry	6
finite_element	5
protein-ligand-interactions	5
protein-protein-interactions	5
nitric-oxide	4
docking	4
single_molecule	4
protein-folding	4
hydrodynamics	3
nucleic-acids	3
integral-equation	3
ligand-membrane-interactions	3
scattering	3
thermodynamics	3
optimization	3
biodistribution	2
oxysterols	2
generalized_born	2
boundary_element	2
salicylate	2
conformation	2
neuroscience	2
ethics	2
systems-biology	2
nanoparticles	2
finite_differences	2
computational_geometry	2
quantum-mechanics	2
magnetism	2
protein-membrane-interactions	2
virus	2
protein-engineering	1
text_mining	1
data_mining	1
lipids	1
mice	1
integral_equations	1
web	1
phosphatidylcholines	1
melittin	1
fluorescence_quenching	1
redox_potentials	1
protein-allostery	1
red_blood_cell	1
systems	1
protein-design	1
protein-nucleic-acid-interactions	1
text-mining	1
colloid-complex	1
mutual-information	1
hydrogen_bonds	1

sobolevnrm's Mccammon:JA [172 articles] Export

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