• Publications
  • Influence
Insect GABA Receptors: Splicing, Editing, and Targeting by Antiparasitics and Insecticides
Ionotropic GABA receptors are abundant in both vertebrate and invertebrate nervous systems, where they mediate rapid, mostly inhibitory synaptic transmission. A GABA-gated chloride channel subunitExpand
  • 179
  • 14
  • PDF
Additional Acetylcholine (ACh) Binding Site at α4/α4 Interface of (α4β2)2α4 Nicotinic Receptor Influences Agonist Sensitivity*
Nicotinic acetylcholine receptor (nAChR) α4 and β2 subunits assemble in two alternate stoichiometries to produce (α4β2)2α4 and (α4β2)2β2, which display different agonist sensitivities. FunctionallyExpand
  • 88
  • 11
The 3-dimensional structure of a hepatitis C virus p7 ion channel by electron microscopy
Infection with the hepatitis C virus (HCV) has a huge impact on global health putting more than 170 million people at risk of developing severe liver disease. The HCV encoded p7 ion channel isExpand
  • 138
  • 10
  • PDF
Structure and orientation of the mammalian antibacterial peptide cecropin P1 within phospholipid membranes.
Cecropins are positively charged antibacterial peptides that act by permeating the membrane of susceptible bacteria. To gain insight into the mechanism of membrane permeation, the secondary structureExpand
  • 210
  • 7
Edit, cut and paste in the nicotinic acetylcholine receptor gene family of Drosophila melanogaster
Nicotinic acetylcholine receptors (nAChRs) are important for fast synaptic cholinergic transmission. They are targets of drugs/chemicals for human and animal health as well as for pest control. WithExpand
  • 133
  • 7
Non-Agonist-Binding Subunit Interfaces Confer Distinct Functional Signatures to the Alternate Stoichiometries of the α4β2 Nicotinic Receptor: An α4–α4 Interface Is Required for Zn2+ Potentiation
The α4β2 subtype is the most abundant nicotinic acetylcholine receptor (nAChR) in the brain and possesses the high-affinity binding site for nicotine. The α4 and β2 nAChR subunits assemble into twoExpand
  • 73
  • 7
Molecular Basis of Kainate Receptor Modulation by Sodium
Membrane proteins function in a polarized ionic environment with sodium-rich extracellular and potassium-rich intracellular solutions. Glutamate receptors that mediate excitatory synapticExpand
  • 69
  • 7
K(+) versus Na(+) ions in a K channel selectivity filter: a simulation study.
Molecular dynamics simulations of a bacterial potassium channel (KcsA) embedded in a phospholipid bilayer reveal significant differences in interactions of the selectivity filter with K(+) comparedExpand
  • 122
  • 6
  • PDF
Rapid and Accurate Prediction and Scoring of Water Molecules in Protein Binding Sites
Water plays a critical role in ligand-protein interactions. However, it is still challenging to predict accurately not only where water molecules prefer to bind, but also which of those waterExpand
  • 115
  • 6
Accurate calculation of the absolute free energy of binding for drug molecules† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c5sc02678d
Free energy calculations based on molecular dynamics and thermodynamic cycles accurately reproduce experimental affinities of diverse bromodomain inhibitors.
  • 103
  • 6
  • PDF