相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Modeling hERG and its interactions with drugs: Recent advances in light of current potassium channel simulations
Maurizio Recanatini et al.
CHEMMEDCHEM (2008)
A composite model for hERG blockade
Christian Kramer et al.
CHEMMEDCHEM (2008)
Atomic structure of a voltage-dependent K+ channel in a lipid membrane-like environment
Stephen B. Long et al.
NATURE (2007)
Crystal structure of a Kir3.1-prokaryotic Kir channel chimera
Motohiko Nishida et al.
EMBO JOURNAL (2007)
Drug block of the hERG potassium channel: Insight from modeling
Phillip J. Stansfeld et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2007)
The way of stabilizing non-IPR fullerenes and structural elucidation of C54Cl8
Xingfa Gao et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
In silico classification of hERG channel blockers: a knowledge-based strategy
Elodie Dubus et al.
CHEMMEDCHEM (2006)
A novel hypothesis for the binding mode of HERG channel blockers
H Choe et al.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2006)
Long γ-ray bursts and core-collapse supernovae have different environments
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NATURE (2006)
Molecular determinants of hERG channel block
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MOLECULAR PHARMACOLOGY (2006)
New insights about HERG blockade obtained from protein modeling, potential energy mapping, and docking studies
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BIOORGANIC & MEDICINAL CHEMISTRY (2006)
Inhibition of cardiac HERG potassium channels by antidepressant maprotiline
T Ferrer-Villada et al.
EUROPEAN JOURNAL OF PHARMACOLOGY (2006)
The membrane protein data bank
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CELLULAR AND MOLECULAR LIFE SCIENCES (2006)
QT interval prolongation: And the beat goes on
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MINI-REVIEWS IN MEDICINAL CHEMISTRY (2005)
Crystal structure of a mammalian voltage-dependent Shaker family K+ channel
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SCIENCE (2005)
Predictive models for hERG potassium channel blockers
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BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2005)
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors
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BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2005)
Exploring blocker binding to a homology model of the open hERG K+ channel using docking and molecular dynamics methods
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FEBS LETTERS (2005)
A two-state homology model of the hERG K+ channel:: application to ligand binding
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BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2005)
Similarities among receptor pockets and among compounds: Analysis and application to in silico ligand screening
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JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2005)
Physicochemical features of the hERG channel drug binding site
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JOURNAL OF BIOLOGICAL CHEMISTRY (2004)
High affinity HERG K+ channel blockade by the antiarrhythmic agent dronedarone:: resistance to mutations of the S6 residues Y652 and F656
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BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2004)
Comparative pharmacology of guinea pig cardiac myocyte and cloned hERG (IKr) channel
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JOURNAL OF CARDIOVASCULAR ELECTROPHYSIOLOGY (2004)
HERG binding specificity and binding site structure: evidence from a fragment-based evolutionary computing SAR study
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PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY (2004)
The filling potential method: A method for estimating the free energy surface for protein-ligand docking
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JOURNAL OF PHYSICAL CHEMISTRY B (2003)
Computational modelling of the open-state Kv1.5 ion channel block by bupivacaine
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BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS (2003)
Detailed analysis of grid-based molecular docking: A case study of CDOCKER - A CHARMm-based MD docking algorithm
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JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Improved protein-ligand docking using GOLD
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PROTEINS-STRUCTURE FUNCTION AND GENETICS (2003)
Prediction of hERG potassium channel affinity by traditional and hologram QSAR methods
GM Keserü
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2003)
A microscopic view of ion conduction through the K+ channel
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PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2003)
Blockade of HERG potassium currents by fluvoxamine: incomplete attenuation by S6 mutations at F656 or Y652
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BRITISH JOURNAL OF PHARMACOLOGY (2003)
Crystal structure of the potassium channel KirBac1.1 in the closed state
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SCIENCE (2003)
Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches
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BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2003)
X-ray structure of a voltage-dependent K+ channel
YX Jiang et al.
NATURE (2003)
Effects of irbesartan on cloned potassium channels involved in human cardiac repolarization
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JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS (2003)
Toward a pharmacophore for drugs inducing the long QT syndrome:: Insights from a CoMFA study of HERG K+ channel blockers
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JOURNAL OF MEDICINAL CHEMISTRY (2002)
A comparison of the receptor binding and HERG channel affinities for a series of antipsychotic drugs
S Kongsamut et al.
EUROPEAN JOURNAL OF PHARMACOLOGY (2002)
Inhibition of the current of heterologously expressed HERG potassium channels by flecainide and comparison with quinidine, propafenone and lignocaine
AA Paul et al.
BRITISH JOURNAL OF PHARMACOLOGY (2002)
Molecular determinants of voltage-dependent human ether-a-go-go related gene (HERG) K+ channel block
JA Sánchez-Chapula et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2002)
Crystal structure and mechanism of a calcium-gated potassium channel
YX Jiang et al.
NATURE (2002)
The open pore conformation of potassium channels
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NATURE (2002)
Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel
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JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS (2002)
Inhibitory actions of the selective serotonin re-uptake inhibitor citalopram on HERG and ventricular L-type calcium currents
HJ Witchel et al.
FEBS LETTERS (2002)
Conducting-state properties of the KcsA potassium channel from molecular and Brownian dynamics simulations
SH Chung et al.
BIOPHYSICAL JOURNAL (2002)
Dofetilide block involves interactions with open and inactivated states of HERG channels
M Weerapura et al.
PFLUGERS ARCHIV-EUROPEAN JOURNAL OF PHYSIOLOGY (2002)
Models of permeation in ion channels
S Kuyucak et al.
REPORTS ON PROGRESS IN PHYSICS (2001)
K+/Na+ selectivity of the KcsA potassium channel from microscopic free energy perturbation calculations
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BIOCHIMICA ET BIOPHYSICA ACTA-PROTEIN STRUCTURE AND MOLECULAR ENZYMOLOGY (2001)
3-D Pharmacophores in drug discovery
JS Mason et al.
CURRENT PHARMACEUTICAL DESIGN (2001)
Molecular and cellular mechanisms of cardiac arrhythmias
MT Keating et al.
CELL (2001)
Antiarrhythmic drug carvedilol inhibits HERG potassium channels
CA Karle et al.
CARDIOVASCULAR RESEARCH (2001)
A dynamic lattice Monte Carlo model of ion transport in inhomogeneous dielectric environments: Method and implementation
P Graf et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2000)
Probing the interaction between inactivation gating and D-sotalol block of HERG
H Numaguchi et al.
CIRCULATION RESEARCH (2000)
A structural basis for drug-induced long QT syndrome
JS Mitcheson et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2000)
T-Coffee: A novel method for fast and accurate multiple sequence alignment
C Notredame et al.
JOURNAL OF MOLECULAR BIOLOGY (2000)
Molecular dynamics estimates of ion diffusion in model hydrophobic and KcsA potassium channels
TW Allen et al.
BIOPHYSICAL CHEMISTRY (2000)
A rapid computational method for lead evolution:: Description and application to α1-adrenergic antagonists
EK Bradley et al.
JOURNAL OF MEDICINAL CHEMISTRY (2000)
Trapping of a methanesulfonanilide by closure of the HERG potassium channel activation gate
JS Mitcheson et al.
JOURNAL OF GENERAL PHYSIOLOGY (2000)
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