Exploring blocker binding to a homology model of the open hERG K+ channel using docking and molecular dynamics methods.
about
Mathematical and computational modeling in biology at multiple scalesInterolog interfaces in protein-protein dockingAn antiarrhythmic agent as a promising lead compound for targeting the hEAG1 ion channel in cancer therapy: insights from molecular dynamics simulations.Modeling and simulation of ion channels.Electrostatic domino effect in the Shaker K channel turret.Molecular mechanisms for drug interactions with hERG that cause long QT syndrome.New potential binding determinant for hERG channel inhibitors.Future directions for drug transporter modelling.Computational methods of studying the binding of toxins from venomous animals to biological ion channels: theory and applications.K+ channel modulators for the treatment of neurological disorders and autoimmune diseasesInteractions of H562 in the S5 helix with T618 and S621 in the pore helix are important determinants of hERG1 potassium channel structure and functionShape signatures: new descriptors for predicting cardiotoxicity in silico.Pharmacogenetics of drug-induced arrhythmias.In silico prediction of hERG inhibition.Accurate Prediction of Ligand Affinities for a Proton-Dependent Oligopeptide Transporter.In silico ADME/T modelling for rational drug design.Assessing hERG pore models as templates for drug docking using published experimental constraints: the inactivated state in the context of drug block.Computational Biology and Chemistry in MTi: Emphasis on the Prediction of Some ADMET Properties.Compilation and physicochemical classification analysis of a diverse hERG inhibition database.Development of Safe Drugs: The hERG Challenge.Computer-aided prediction of QT-prolongation.Blind docking of drug-sized compounds to proteins with up to a thousand residues.Structural refinement of the hERG1 pore and voltage-sensing domains with ROSETTA-membrane and molecular dynamics simulations.Ligand binding to the voltage-gated Kv1.5 potassium channel in the open state--docking and computer simulations of a homology model.A Continuum Poisson-Boltzmann Model for Membrane Channel Proteins.
P2860
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P2860
Exploring blocker binding to a homology model of the open hERG K+ channel using docking and molecular dynamics methods.
description
2005 nî lūn-bûn
@nan
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
2005年论文
@zh
2005年论文
@zh-cn
name
Exploring blocker binding to a ...... nd molecular dynamics methods.
@en
Exploring blocker binding to a ...... nd molecular dynamics methods.
@nl
type
label
Exploring blocker binding to a ...... nd molecular dynamics methods.
@en
Exploring blocker binding to a ...... nd molecular dynamics methods.
@nl
prefLabel
Exploring blocker binding to a ...... nd molecular dynamics methods.
@en
Exploring blocker binding to a ...... nd molecular dynamics methods.
@nl
P2860
P1433
P1476
Exploring blocker binding to a ...... nd molecular dynamics methods.
@en
P2093
Fredrik Osterberg
Johan Aqvist
P2860
P304
P356
10.1016/J.FEBSLET.2005.04.039
P407
P577
2005-05-01T00:00:00Z