-
1
-
-
23644450590
-
Genetics of Acquired Long QT Syndrome
-
Roden, D. M.; Viswanathan, P. C. Genetics of Acquired Long QT Syndrome J. Clin. Invest. 2005, 115, 2025-2032
-
(2005)
J. Clin. Invest.
, vol.115
, pp. 2025-2032
-
-
Roden, D.M.1
Viswanathan, P.C.2
-
2
-
-
1442306232
-
Drug-Induced Prolongation of the QT Interval
-
Roden, D. M. Drug-Induced Prolongation of the QT Interval N. Engl. J. Med. 2004, 350, 1013-1022
-
(2004)
N. Engl. J. Med.
, vol.350
, pp. 1013-1022
-
-
Roden, D.M.1
-
3
-
-
84866679694
-
HERG K+ Channels: Structure, Function, and Clinical Significance
-
Vandenberg, J. I.; Perry, M. D.; Perrin, M. J.; Mann, S. A.; Ke, Y.; Hill, A. P. hERG K+ Channels: Structure, Function, and Clinical Significance Physiol. Rev. 2012, 92, 1393-1478
-
(2012)
Physiol. Rev.
, vol.92
, pp. 1393-1478
-
-
Vandenberg, J.I.1
Perry, M.D.2
Perrin, M.J.3
Mann, S.A.4
Ke, Y.5
Hill, A.P.6
-
4
-
-
84869215742
-
Identification and Characterization of a Compound That Protects Cardiac Tissue from Human Ether-a-Go-Go-Related Gene (HERG)-Related, Drug-Induced Arrhythmias
-
Potet, F. Identification and Characterization of a Compound That Protects Cardiac Tissue from Human Ether-a-Go-Go-Related Gene (HERG)-Related, Drug-Induced Arrhythmias J. Biol. Chem. 2012, 287, 39613-39625
-
(2012)
J. Biol. Chem.
, vol.287
, pp. 39613-39625
-
-
Potet, F.1
-
5
-
-
79958775318
-
Development and Comparison of hERG Blocker Classifiers: Assessment on Different Datasets Yields Markedly Different Results
-
Marchese-Robinson, R. L.; Glen, R. C.; Mitchell, J. B. O. Development and Comparison of hERG Blocker Classifiers: Assessment on Different Datasets Yields Markedly Different Results Mol. Inform. 2011, 30, 443-458
-
(2011)
Mol. Inform.
, vol.30
, pp. 443-458
-
-
Marchese-Robinson, R.L.1
Glen, R.C.2
Mitchell, J.B.O.3
-
6
-
-
0037194634
-
Toward a Pharmacophore for Drugs Inducing the Long QT Syndrome: Insights from a CoMFA Study of HERG K+ Channel Blockers
-
Cavalli, A.; Poluzzi, E.; De Ponti, F.; Recanatini, M. Toward a Pharmacophore for Drugs Inducing the Long QT Syndrome: Insights from a CoMFA Study of HERG K+ Channel Blockers J. Med. Chem. 2002, 45, 3844-3853
-
(2002)
J. Med. Chem.
, vol.45
, pp. 3844-3853
-
-
Cavalli, A.1
Poluzzi, E.2
De Ponti, F.3
Recanatini, M.4
-
7
-
-
0036229805
-
Three-Dimensional Quantitative Structure-Activity Relationship for Inhibition of Human Ether-a-Go-Go-Related Gene Potassium Channel
-
Ekins, S.; Crumb, W. J.; Sarazan, R. D.; Wikel, J. H.; Wrighton, S. A. Three-Dimensional Quantitative Structure-Activity Relationship for Inhibition of Human Ether-a-Go-Go-Related Gene Potassium Channel J. Pharmacol. Exp. Ther. 2002, 301, 427-434
-
(2002)
J. Pharmacol. Exp. Ther.
, vol.301
, pp. 427-434
-
-
Ekins, S.1
Crumb, W.J.2
Sarazan, R.D.3
Wikel, J.H.4
Wrighton, S.A.5
-
8
-
-
0038743107
-
Characterization of HERG potassium Channel Inhibition Using CoMSiA 3D QSAR and Homology Modeling Approaches
-
Pearlstein, R. A.; Vaz, R. J.; Kang, J.; Chen, X.-L.; Preobrazhenskaya, M.; Shchekotikhin, A. E.; Korolev, A. M.; Lysenkova, L. N.; Miroshnikova, O. V.; Hendrix, J.; Rampe, D. Characterization of HERG potassium Channel Inhibition Using CoMSiA 3D QSAR and Homology Modeling Approaches Bioorg. Med. Chem. Lett. 2003, 13, 1829-1835
-
(2003)
Bioorg. Med. Chem. Lett.
, vol.13
, pp. 1829-1835
-
-
Pearlstein, R.A.1
Vaz, R.J.2
Kang, J.3
Chen, X.-L.4
Preobrazhenskaya, M.5
Shchekotikhin, A.E.6
Korolev, A.M.7
Lysenkova, L.N.8
Miroshnikova, O.V.9
Hendrix, J.10
Rampe, D.11
-
9
-
-
1842686775
-
A Model for Identifying HERG K+ Channel Blockers
-
Aronov, A. M.; Goldman, B. B. A Model for Identifying HERG K+ Channel Blockers Bioorg. Med. Chem. 2004, 12, 2307-2315
-
(2004)
Bioorg. Med. Chem.
, vol.12
, pp. 2307-2315
-
-
Aronov, A.M.1
Goldman, B.B.2
-
10
-
-
33750998518
-
Common Pharmacophores for Uncharged Human Ether-a-go-go-Related Gene (hERG) Blockers
-
Aronov, A. M. Common Pharmacophores for Uncharged Human Ether-a-go-go-Related Gene (hERG) Blockers J. Med. Chem. 2006, 49, 6917-6921
-
(2006)
J. Med. Chem.
, vol.49
, pp. 6917-6921
-
-
Aronov, A.M.1
-
11
-
-
84859651420
-
Mechanism of Voltage Gating in Potassium Channels
-
Jensen, M. O.; Jogini, V.; Borhani, D. W.; Leffler, A. E.; Dror, R. O.; Shaw, D. E. Mechanism of Voltage Gating in Potassium Channels Science 2012, 336, 229-233
-
(2012)
Science
, vol.336
, pp. 229-233
-
-
Jensen, M.O.1
Jogini, V.2
Borhani, D.W.3
Leffler, A.E.4
Dror, R.O.5
Shaw, D.E.6
-
12
-
-
0034710933
-
A Structural Basis for Drug-Induced Long QT Syndrome
-
Mitcheson, J. S.; Chen, J.; Lin, M.; Culberson, C.; Sanguinetti, M. C. A Structural Basis for Drug-Induced Long QT Syndrome Proc. Natl. Acad. Sci. U. S. A. 2000, 97, 12329-12333
-
(2000)
Proc. Natl. Acad. Sci. U. S. A.
, vol.97
, pp. 12329-12333
-
-
Mitcheson, J.S.1
Chen, J.2
Lin, M.3
Culberson, C.4
Sanguinetti, M.C.5
-
13
-
-
34247847889
-
Probing the Outer Mouth Structure of the hERG Channel with Peptide Toxin Footprinting and Molecular Modeling
-
Tseng, G.-N.; Sonawane, K. D.; Korolkova, Y. V.; Zhang, M.; Liu, J.; Grishin, E. V.; Guy, H. R. Probing the Outer Mouth Structure of the hERG Channel with Peptide Toxin Footprinting and Molecular Modeling Biophys. J. 2007, 92, 3524-3540
-
(2007)
Biophys. J.
, vol.92
, pp. 3524-3540
-
-
Tseng, G.-N.1
Sonawane, K.D.2
Korolkova, Y.V.3
Zhang, M.4
Liu, J.5
Grishin, E.V.6
Guy, H.R.7
-
14
-
-
47249121368
-
Insight into the Mechanism of Inactivation and pH Sensitivity in Potassium Channels from Molecular Dynamics Simulations
-
Stansfeld, P. J.; Grottesi, A.; Sands, Z. A.; Sansom, M. S. P.; Gedeck, P.; Gosling, M.; Cox, B.; Stanfield, P. R.; Mitcheson, J. S.; Sutcliffe, M. J. Insight into the Mechanism of Inactivation and pH Sensitivity in Potassium Channels from Molecular Dynamics Simulations Biochemistry 2008, 47, 7414-7422
-
(2008)
Biochemistry
, vol.47
, pp. 7414-7422
-
-
Stansfeld, P.J.1
Grottesi, A.2
Sands, Z.A.3
Sansom, M.S.P.4
Gedeck, P.5
Gosling, M.6
Cox, B.7
Stanfield, P.R.8
Mitcheson, J.S.9
Sutcliffe, M.J.10
-
15
-
-
19444375852
-
Exploring Blocker Binding to a Homology Model of the Open hERG K+ Channel Using Docking and Molecular Dynamics Methods
-
Österberg, F.; Å qvist, J. Exploring Blocker Binding to a Homology Model of the Open hERG K+ Channel Using Docking and Molecular Dynamics Methods FEBS Lett. 2005, 579, 2939-2944
-
(2005)
FEBS Lett.
, vol.579
, pp. 2939-2944
-
-
Österberg, F.1
-
16
-
-
14644392097
-
A Two-State Homology Model of the hERG K+ Channel: Application to Ligand Binding
-
Rajamani, R.; Tounge, B. A.; Li, J.; Reynolds, C. H. A Two-State Homology Model of the hERG K+ Channel: Application to Ligand Binding Bioorg. Med. Chem. Lett. 2005, 15, 1737-1741
-
(2005)
Bioorg. Med. Chem. Lett.
, vol.15
, pp. 1737-1741
-
-
Rajamani, R.1
Tounge, B.A.2
Li, J.3
Reynolds, C.H.4
-
17
-
-
46749099544
-
A Composite Model for hERG Blockade
-
Kramer, C.; Beck, B.; Kriegl, J. M.; Clark, T. A Composite Model for hERG Blockade ChemMedChem. 2008, 3, 254-265
-
(2008)
ChemMedChem.
, vol.3
, pp. 254-265
-
-
Kramer, C.1
Beck, B.2
Kriegl, J.M.3
Clark, T.4
-
18
-
-
77249138349
-
Toward a Consensus Model of the hERG Potassium Channel
-
Stary, A.; Wacker, S. J.; Boukharta, L.; Zachariae, U.; Karimi-Nejad, Y.; Å qvist, J.; Vriend, G.; de Groot, B. L. Toward a Consensus Model of the hERG Potassium Channel ChemMedChem. 2010, 5, 455-467
-
(2010)
ChemMedChem.
, vol.5
, pp. 455-467
-
-
Stary, A.1
Wacker, S.J.2
Boukharta, L.3
Zachariae, U.4
Karimi-Nejad, Y.5
-
19
-
-
84857127272
-
+ Channel Activation and Deactivation Gating
-
+ Channel Activation and Deactivation Gating PLoS One 2012, 7, e31640
-
(2012)
PLoS One
, vol.7
, pp. 31640
-
-
Ng, C.A.1
Perry, M.D.2
Tan, P.S.3
Hill, A.P.4
Kuchel, P.W.5
Vandenberg, J.I.6
-
20
-
-
84867830194
-
Modeling of Open, Closed, and Open-Inactivated States of the hERG1 Channel: Structural Mechanisms of the State-Dependent Drug Binding
-
Durdagi, S.; Deshpande, S.; Duff, H. J.; Noskov, S. Y. Modeling of Open, Closed, and Open-Inactivated States of the hERG1 Channel: Structural Mechanisms of the State-Dependent Drug Binding J. Chem. Inf. Model. 2012, 52, 2760-2774
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 2760-2774
-
-
Durdagi, S.1
Deshpande, S.2
Duff, H.J.3
Noskov, S.Y.4
-
21
-
-
36248982122
-
Atomic Structure of a Voltage-Dependent K+ Channel in a Lipid Membrane-Like eEnvironment
-
Long, S. B.; Tao, X.; Campbell, E. B.; MacKinnon, R. Atomic Structure of a Voltage-Dependent K+ Channel in a Lipid Membrane-Like eEnvironment Nature 2007, 450, 376
-
(2007)
Nature
, vol.450
, pp. 376
-
-
Long, S.B.1
Tao, X.2
Campbell, E.B.3
Mackinnon, R.4
-
22
-
-
84873054945
-
An Automated Docking Protocol for hERG Channel Blockers
-
Di Martino, G. P.; Masetti, M.; Ceccarini, L.; Cavalli, A.; Recanatini, M. An Automated Docking Protocol for hERG Channel Blockers J. Chem. Inf. Model. 2013, 53, 159-175
-
(2013)
J. Chem. Inf. Model.
, vol.53
, pp. 159-175
-
-
Di Martino, G.P.1
Masetti, M.2
Ceccarini, L.3
Cavalli, A.4
Recanatini, M.5
-
23
-
-
36248982122
-
Atomic Structure of a Voltage-Dependent K+ Channel in a Lipid Membrane-Like Environment
-
Long, S. B.; Tao, X.; Campbell, E. B.; MacKinnon, R. Atomic Structure of a Voltage-Dependent K+ Channel in a Lipid Membrane-Like Environment Nature 2007, 450, 376-382
-
(2007)
Nature
, vol.450
, pp. 376-382
-
-
Long, S.B.1
Tao, X.2
Campbell, E.B.3
Mackinnon, R.4
-
24
-
-
0029878720
-
{VMD} - {V}isual {M}olecular {D}ynamics
-
Humphrey, W.; Dalke, A.; Schulten, K. {VMD}-{V}isual {M}olecular {D}ynamics J. Mol. Graph. 1996, 14, 33-38
-
(1996)
J. Mol. Graph.
, vol.14
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
-
25
-
-
27344436659
-
Scalable Molecular Dynamics with NAMD
-
Phillips, J. C.; Braun, R.; Wang, W.; Gumbart, J.; Tajkhorshid, E.; Villa, E.; Chipot, C.; Skeel, R. D.; Kalé, L.; Schulten, K. Scalable Molecular Dynamics with NAMD J. Comput. Chem. 2005, 26, 1781-1802
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 1781-1802
-
-
Phillips, J.C.1
Braun, R.2
Wang, W.3
Gumbart, J.4
Tajkhorshid, E.5
Villa, E.6
Chipot, C.7
Skeel, R.D.8
Kalé, L.9
Schulten, K.10
-
26
-
-
0041784950
-
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
-
MacKerell, A. D. All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins J. Phys. Chem. B 1998, 102, 3586-3616
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 3586-3616
-
-
Mackerell, A.D.1
-
27
-
-
3142714765
-
Extending the Treatment of Backbone Energetics in Protein Force Fields: Limitations of Gas-Phase Quantum Mechanics in Reproducing Protein Conformational Distributions in Molecular Dynamics Simulations
-
Mackerell, A. D.; Feig, M.; Brooks, C. L. Extending the Treatment of Backbone Energetics in Protein Force Fields: Limitations of Gas-Phase Quantum Mechanics in Reproducing Protein Conformational Distributions in Molecular Dynamics Simulations J. Comput. Chem. 2004, 25, 1400-1415
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1400-1415
-
-
Mackerell, A.D.1
Feig, M.2
Brooks, C.L.3
-
28
-
-
0001655657
-
Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations
-
Beglov, D.; Roux, B. Finite Representation of an Infinite Bulk System: Solvent Boundary Potential for Computer Simulations J. Chem. Phys. 1994, 100, 9050-9063
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 9050-9063
-
-
Beglov, D.1
Roux, B.2
-
29
-
-
0011623175
-
-
Merz, K. M. Roux, J. B. Birkhauser: Boston
-
Schlenkrich, M.; Brickmann, J.; MacKerell, A. D.; Karplus, J. M. In Biological Membranes; Merz, K. M.; Roux, J. B., Eds.; Birkhauser: Boston, 1996; pp 31-81.
-
(1996)
Biological Membranes
, pp. 31-81
-
-
Schlenkrich, M.1
Brickmann, J.2
Mackerell, A.D.3
Karplus, J.M.4
-
30
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. Comparison of simple potential functions for simulating liquid water J. Chem. Phys. 1983, 79, 926-936
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-936
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
31
-
-
33846823909
-
Particle Mesh Ewald: An Nlog(N) Method for Ewald Sums in Large Systems
-
Darden, T.; York, Y.; Pedersen, L. Particle Mesh Ewald: An Nlog(N) Method for Ewald Sums in Large Systems J. Chem. Phys. 1993, 98, 10089-10092
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 10089-10092
-
-
Darden, T.1
York, Y.2
Pedersen, L.3
-
32
-
-
77953513118
-
Improved Side-Chain Torsion Potentials for the Amber ff99SB Protein Force Field
-
Lindorff-Larsen, K.; Piana, S.; Palmo, K.; Maragakis, P.; Klepeis, J. L.; Dror, R. O.; Shaw, D. E. Improved Side-Chain Torsion Potentials for the Amber ff99SB Protein Force Field Proteins Struct. Funct. Bioinforma. 2010, 78, 1950-1958
-
(2010)
Proteins Struct. Funct. Bioinforma.
, vol.78
, pp. 1950-1958
-
-
Lindorff-Larsen, K.1
Piana, S.2
Palmo, K.3
Maragakis, P.4
Klepeis, J.L.5
Dror, R.O.6
Shaw, D.E.7
-
33
-
-
31544450787
-
Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects
-
Sherman, W.; Day, T.; Jacobson, M. P.; Friesner, R. A.; Farid, R. Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects J. Med. Chem. 2006, 49, 534-553
-
(2006)
J. Med. Chem.
, vol.49
, pp. 534-553
-
-
Sherman, W.1
Day, T.2
Jacobson, M.P.3
Friesner, R.A.4
Farid, R.5
-
34
-
-
0031234042
-
An Integral Equation to Describe the Solvation of Polar Molecules in Liquid Water
-
Beglov, D.; Roux, B. An Integral Equation To Describe the Solvation of Polar Molecules in Liquid Water J. Phys. Chem. B 1997, 101, 7821-7826
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 7821-7826
-
-
Beglov, D.1
Roux, B.2
-
35
-
-
0032568751
-
Three-Dimensional Density Profiles of Water in Contact with a Solute of Arbitrary Shape: A RISM Approach
-
Kovalenko, A.; Hirata, F. Three-Dimensional Density Profiles of Water in Contact with a Solute of Arbitrary Shape: a RISM Approach Chem. Phys. Lett. 1998, 290, 237-244
-
(1998)
Chem. Phys. Lett.
, vol.290
, pp. 237-244
-
-
Kovalenko, A.1
Hirata, F.2
-
36
-
-
65249157397
-
Protonate3D: Assignment of Ionization States and Hydrogen Coordinates to Macromolecular Structures
-
Labute, P. Protonate3D: Assignment of Ionization States and Hydrogen Coordinates to Macromolecular Structures Proteins Struct. Funct. Bioinforma. 2009, 75, 187-205
-
(2009)
Proteins Struct. Funct. Bioinforma.
, vol.75
, pp. 187-205
-
-
Labute, P.1
-
37
-
-
84862614975
-
-
University of California, San Francisco
-
Case, D.A.; Amber 12; University of California, San Francisco, 2012.
-
(2012)
Amber 12
-
-
Case, D.A.1
-
38
-
-
84865722478
-
GAFFlipid: A General Amber Force Field for the Accurate Molecular Dynamics Simulation of Phospholipid
-
Dickson, C. J.; Rosso, L.; Betz, R. M.; Walker, R. C.; Gould, I. R. GAFFlipid: a General Amber Force Field for the Accurate Molecular Dynamics Simulation of Phospholipid Soft Matter 2012, 8, 9617-9627
-
(2012)
Soft Matter
, vol.8
, pp. 9617-9627
-
-
Dickson, C.J.1
Rosso, L.2
Betz, R.M.3
Walker, R.C.4
Gould, I.R.5
-
39
-
-
78650186363
-
Lipidbook: A Public Repository for Force-Field Parameters Used in Membrane Simulations
-
Domanski, J.; Stansfeld, P.; Sansom, M.; Beckstein, O. Lipidbook: A Public Repository for Force-Field Parameters Used in Membrane Simulations J. Membr. Biol. 2010, 236, 255-258
-
(2010)
J. Membr. Biol.
, vol.236
, pp. 255-258
-
-
Domanski, J.1
Stansfeld, P.2
Sansom, M.3
Beckstein, O.4
-
40
-
-
1642370447
-
Physicochemical Features of the hERG Channel Drug Binding Site
-
Fernandez, D.; Ghanta, A.; Kauffman, G. W.; Sanguinetti, M. C. Physicochemical Features of the hERG Channel Drug Binding Site J. Biol. Chem. 2004, 279, 10120-10127
-
(2004)
J. Biol. Chem.
, vol.279
, pp. 10120-10127
-
-
Fernandez, D.1
Ghanta, A.2
Kauffman, G.W.3
Sanguinetti, M.C.4
-
41
-
-
33845770848
-
Molecular Mechanisms for Drug Interactions with hERG that Cause Long QT Syndrome
-
Stansfeld, P. J.; Sutcliffe, M. J.; Mitcheson, J. S. Molecular Mechanisms for Drug Interactions with hERG that Cause Long QT Syndrome Expert Opin. Drug Metab. Toxicol. 2006, 2, 81-94
-
(2006)
Expert Opin. Drug Metab. Toxicol.
, vol.2
, pp. 81-94
-
-
Stansfeld, P.J.1
Sutcliffe, M.J.2
Mitcheson, J.S.3
-
42
-
-
82255164267
-
MDpocket: Open-Source Cavity Detection and Characterization on Molecular Dynamics Trajectories
-
Schmidtke, P.; Bidon-Chanal, A.; Luque, F. J.; Barril, X. MDpocket: Open-Source Cavity Detection and Characterization on Molecular Dynamics Trajectories Bioinformatics 2011, 27, 3276-85
-
(2011)
Bioinformatics
, vol.27
, pp. 3276-3285
-
-
Schmidtke, P.1
Bidon-Chanal, A.2
Luque, F.J.3
Barril, X.4
-
43
-
-
66549125616
-
The Evolutionarily Conserved Residue A653 Plays a Key Role in HERG Channel Closing
-
Stepanovic, S. Z.; Potet, F.; Petersen, C. I.; Smith, J. A.; Meiler, J.; Balser, J. R.; Kupershmidt, S. The Evolutionarily Conserved Residue A653 Plays a Key Role in HERG Channel Closing J. Physiol. 2009, 587, 2555-2566
-
(2009)
J. Physiol.
, vol.587
, pp. 2555-2566
-
-
Stepanovic, S.Z.1
Potet, F.2
Petersen, C.I.3
Smith, J.A.4
Meiler, J.5
Balser, J.R.6
Kupershmidt, S.7
-
44
-
-
24644435481
-
S641 Contributes HERG K+ Channel Inactivation
-
Bian, J.-S.; Cui, J.; Melman, Y.; McDonald, T. S641 Contributes HERG K+ Channel Inactivation Cell Biochem. Biophys. 2004, 41, 25-39
-
(2004)
Cell Biochem. Biophys.
, vol.41
, pp. 25-39
-
-
Bian, J.-S.1
Cui, J.2
Melman, Y.3
McDonald, T.4
-
45
-
-
59449093463
-
The Pore Domain Outer Helix Contributes to Both Activation and Inactivation of the hERG K+ Channel
-
Ju, P.; Pages, G.; Riek, R. P.; Chen, P.-c.; Torres, A. M.; Bansal, P. S.; Kuyucak, S.; Kuchel, P. W.; Vandenberg, J. I. The Pore Domain Outer Helix Contributes to Both Activation and Inactivation of the hERG K+ Channel J. Biol. Chem. 2009, 284, 1000-1008
-
(2009)
J. Biol. Chem.
, vol.284
, pp. 1000-1008
-
-
Ju, P.1
Pages, G.2
Riek, R.P.3
Chen, P.-C.4
Torres, A.M.5
Bansal, P.S.6
Kuyucak, S.7
Kuchel, P.W.8
Vandenberg, J.I.9
-
46
-
-
84864235692
-
A Molecular Switch Driving Inactivation in the Cardiac K+ Channel hERG
-
Koepfer, D. A.; Hahn, U.; Ohmert, I.; Vriend, G.; Pongs, O.; de Groot, B. L.; Zachariae, U. A Molecular Switch Driving Inactivation in the Cardiac K+ Channel hERG PLoS One 2012, 7, e41023
-
(2012)
PLoS One
, vol.7
, pp. 41023
-
-
Koepfer, D.A.1
Hahn, U.2
Ohmert, I.3
Vriend, G.4
Pongs, O.5
De Groot, B.L.6
Zachariae, U.7
-
47
-
-
67650388333
-
Interactions of H562 in the S5 Helix with T618 and S621 in the Pore Helix Are Important Determinants of hERG1 Potassium Channel Structure and Function
-
Lees-Miller, J. P.; Subbotina, J. O.; Guo, J.; Yarov-Yarovoy, V.; Noskov, S. Y.; Duff, H. J. Interactions of H562 in the S5 Helix with T618 and S621 in the Pore Helix Are Important Determinants of hERG1 Potassium Channel Structure and Function Biophys. J. 2009, 96, 3600-3610
-
(2009)
Biophys. J.
, vol.96
, pp. 3600-3610
-
-
Lees-Miller, J.P.1
Subbotina, J.O.2
Guo, J.3
Yarov-Yarovoy, V.4
Noskov, S.Y.5
Duff, H.J.6
-
48
-
-
33644967111
-
New Insights about HERG Blockade Obtained from Protein Modeling, Potential Energy Mapping, and Docking Studies
-
Farid, R.; Day, T.; Friesner, R. A.; Pearlstein, R. A. New Insights about HERG Blockade Obtained from Protein Modeling, Potential Energy Mapping, and Docking Studies Bioorg. Med. Chem. 2006, 14, 3160-3173
-
(2006)
Bioorg. Med. Chem.
, vol.14
, pp. 3160-3173
-
-
Farid, R.1
Day, T.2
Friesner, R.A.3
Pearlstein, R.A.4
-
49
-
-
67650759939
-
Side Chain Flexibilities in the Human Ether-a-go-go Related Gene Potassium Channel (hERG) Together with Matched-Pair Binding Studies Suggest a New Binding Mode for Channel Blockers
-
Zachariae, U.; Giordanetto, F.; Leach, A. G. Side Chain Flexibilities in the Human Ether-a-go-go Related Gene Potassium Channel (hERG) Together with Matched-Pair Binding Studies Suggest a New Binding Mode for Channel Blockers J. Med. Chem. 2009, 52, 4266-4276
-
(2009)
J. Med. Chem.
, vol.52
, pp. 4266-4276
-
-
Zachariae, U.1
Giordanetto, F.2
Leach, A.G.3
-
50
-
-
79959980468
-
Computer Simulations of StructureActivity Relationships for hERG Channel Blockers
-
Boukharta, L.; Keranen, H.; Stary-Weinzinger, A.; Wallin, G.; de Groot, B. L.; Å qvist, J. Computer Simulations of StructureActivity Relationships for hERG Channel Blockers Biochemistry 2011, 50, 6146-6156
-
(2011)
Biochemistry
, vol.50
, pp. 6146-6156
-
-
Boukharta, L.1
Keranen, H.2
Stary-Weinzinger, A.3
Wallin, G.4
De Groot, B.L.5
-
51
-
-
35348824829
-
Structural Basis of Action for a Human Ether-a-go-Ggo-Related Gene 1 Potassium Channel Activator
-
Perry, M.; Sachse, F. B.; Sanguinetti, M. C. Structural Basis of Action for a Human Ether-a-go-Ggo-Related Gene 1 Potassium Channel Activator Proc. Natl. Acad. Sci. U. S. A. 2007, 104, 13827-13832
-
(2007)
Proc. Natl. Acad. Sci. U. S. A.
, vol.104
, pp. 13827-13832
-
-
Perry, M.1
Sachse, F.B.2
Sanguinetti, M.C.3
-
52
-
-
1642310340
-
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening
-
Halgren, T. A.; Murphy, R. B.; Friesner, R. A.; Beard, H. S.; Frye, L. L.; Pollard, W. T.; Banks, J. L. Glide: a New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening J. Med. Chem. 2004, 47, 1750-1759
-
(2004)
J. Med. Chem.
, vol.47
, pp. 1750-1759
-
-
Halgren, T.A.1
Murphy, R.B.2
Friesner, R.A.3
Beard, H.S.4
Frye, L.L.5
Pollard, W.T.6
Banks, J.L.7
-
53
-
-
44249086160
-
Topological Mapping of the Asymmetric Drug Binding to the Human Ether-à-go-go-Related Gene Product (HERG) Potassium Channel by Use of Tandem Dimers
-
Myokai, T.; Ryu, S.; Shimizu, H.; Oiki, S. Topological Mapping of the Asymmetric Drug Binding to the Human Ether-à-go-go-Related Gene Product (HERG) Potassium Channel by Use of Tandem Dimers Mol. Pharmacol. 2008, 73, 1643-1651
-
(2008)
Mol. Pharmacol.
, vol.73
, pp. 1643-1651
-
-
Myokai, T.1
Ryu, S.2
Shimizu, H.3
Oiki, S.4
-
54
-
-
34247272948
-
Evaluating Virtual Screening Methods: Good and Bad Metrics for the Early Recognition Problem
-
Truchon, J.-F.; Bayly, C. I. Evaluating Virtual Screening Methods: Good and Bad Metrics for the Early Recognition Problem J. Chem. Inf. Model. 2007, 47, 488-508
-
(2007)
J. Chem. Inf. Model.
, vol.47
, pp. 488-508
-
-
Truchon, J.-F.1
Bayly, C.I.2
-
55
-
-
0030043489
-
Cation-π Interactions in Chemistry and Biology: A New View of Benzene, Phe, Tyr, and Trp
-
Dougherty, D. A. Cation-π Interactions in Chemistry and Biology: A New View of Benzene, Phe, Tyr, and Trp Science 1996, 271, 163-168
-
(1996)
Science
, vol.271
, pp. 163-168
-
-
Dougherty, D.A.1
-
58
-
-
41649121041
-
A Binary QSAR Model for Classification of hERG Potassium Channel Blockers
-
Thai, K.-M.; Ecker, G. F. A Binary QSAR Model for Classification of hERG Potassium Channel Blockers Bioorg. Med. Chem. 2008, 16, 4107-4119
-
(2008)
Bioorg. Med. Chem.
, vol.16
, pp. 4107-4119
-
-
Thai, K.-M.1
Ecker, G.F.2
-
59
-
-
33746275630
-
In Silico Classification of hERG Channel Blockers: A Knowledge-Based Strategy
-
Dubus, E.; Ijjaali, I.; Petitet, F.; Michel, A. In Silico Classification of hERG Channel Blockers: a Knowledge-Based Strategy ChemMedChem. 2006, 1, 622-630
-
(2006)
ChemMedChem.
, vol.1
, pp. 622-630
-
-
Dubus, E.1
Ijjaali, I.2
Petitet, F.3
Michel, A.4
-
60
-
-
80053210396
-
Molecular Determinants for Activation of Human Ether-À-go-go- related Gene 1 Potassium Channels by 3-Nitro-N-(4-phenoxyphenyl) Benzamide
-
Garg, V.; Stary-Weinzinger, A.; Sachse, F.; Sanguinetti, M. C. Molecular Determinants for Activation of Human Ether-à-go-go-related Gene 1 Potassium Channels by 3-Nitro-N-(4-phenoxyphenyl) Benzamide Mol. Pharmacol. 2011, 80, 630-637
-
(2011)
Mol. Pharmacol.
, vol.80
, pp. 630-637
-
-
Garg, V.1
Stary-Weinzinger, A.2
Sachse, F.3
Sanguinetti, M.C.4
|