Rehabilitating drug-induced long-QT promoters: In-silico design of hERG-neutral cisapride analogues with retained pharmacological activity

Systematic review: cardiovascular safety profile of 5-HT4 agonists developed for gastrointestinal disorders

(2012) J. Tack et al.   ALIMENTARY PHARMACOLOGY & THERAPEUTICS

Insights into hERG K+ channel structure and function from NMR studies

(2012) Chai Ann Ng et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

Modeling of Open, Closed, and Open-Inactivated States of the hERG1 Channel: Structural Mechanisms of the State-Dependent Drug Binding

(2012) Serdar Durdagi et al.   Journal of Chemical Information and Modeling

ZINC: A Free Tool to Discover Chemistry for Biology

(2012) John J. Irwin et al.   Journal of Chemical Information and Modeling

hERG K+ Channels: Structure, Function, and Clinical Significance

(2012) Jamie I. Vandenberg et al.   PHYSIOLOGICAL REVIEWS

Combined Receptor and Ligand-Based Approach to the Universal Pharmacophore Model Development for Studies of Drug Blockade to the hERG1 Pore Domain

(2011) Serdar Durdagi et al.   Journal of Chemical Information and Modeling

Structure of an Agonist-Bound Human A2A Adenosine Receptor

(2011) F. Xu et al.   SCIENCE

Toward the estimation of the absolute quality of individual protein structure models

(2010) Pascal Benkert et al.   BIOINFORMATICS

Insights into the Molecular Mechanism of hERG1 Channel Activation and Blockade by Drugs

(2010) S. Durdagi et al.   CURRENT MEDICINAL CHEMISTRY

SYMPOSIUM REVIEW: Revealing the structural basis of action of hERG potassium channel activators and blockers

(2010) Matthew Perry et al.   JOURNAL OF PHYSIOLOGY-LONDON

Structural refinement of the hERG1 pore and voltage-sensing domains with ROSETTA-membrane and molecular dynamics simulations

(2010) Julia Subbotina et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

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

(2009) James P. Lees-Miller et al.   BIOPHYSICAL JOURNAL

CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes

(2009) Sunhwan Jo et al.   BIOPHYSICAL JOURNAL

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Identification of Novel Small-Molecule Agonists for Human Formyl Peptide Receptors and Pharmacophore Models of Their Recognition

(2009) L. N. Kirpotina et al.   MOLECULAR PHARMACOLOGY