S. J. Tucker

Electronic Polarizability Tunes the Function of the Human Bestrophin 1 Cl- Channel

The paper shows that electronic polarization is essential for accurately simulating Cl- permeation through the hBest1 channel and resolving ion-like densities in cryo-EM structures.

Isolate-anchored comparisons reveal evolutionary and functional differentiation across SAR86 marine bacteria

The paper analyzes the genomic and functional characteristics of SAR86 marine bacteria using a newly isolated strain and environmental genomes, revealing their metabolic capabilities and ecological distribution.

Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation

The paper identifies nanobodies that selectively modulate TREK-2 channel activity and reveals their binding mechanisms through structural analysis.

Transcending Markov: Non-Markovian Rate Processes of Thermosensitive TRP Ion Channels

This paper develops a non-Markovian analytical model to describe the non-equilibrium behavior of temperature-sensitive TRP ion channels, TRPV1 and TRPM8, overcoming limitations of the Markov state model.

Influence of Electronic Polarization on the Binding of Anions to a Chloride-Pumping Rhodopsin

This study investigates how electronic polarization affects chloride ion binding to a chloride-pumping rhodopsin using molecular dynamics simulations with different force fields.

Transition between conformational states of the TREK-1 K2P channel promoted by interaction with PIP2

This study uses molecular dynamics simulations to show PIP2 promotes a conformational transition in TREK-1 channels from down to up states.

Influence of effective polarization on ion and water interactions within a biomimetic nanopore

This study investigates ion and water interactions in a biomimetic nanopore using MD simulations with and without polarization effects, finding that polarization significantly influences ion behavior at hydrophobic interfaces.

Water Nanoconfined in a Hydrophobic Pore: MD Simulations and Water Models

This study uses molecular dynamics simulations to show that polarisable water models enhance wettability in hydrophobic nanopores, affecting wetting/de-wetting behavior in ion channels.

Effects of Ionic Strength on Gating and Permeation of TREK-2 K2P channels

This study investigates how ionic strength affects TREK-2 channel gating and permeation, finding that high internal K+ inhibits the channel through increased ionic strength, while BL1249 increases conductance but not open probability.

Multiple Mechanisms Underlie State-Independent Inhibitory Effects of Norfluoxetine on TREK-2 K2P Channels

This study identifies multiple mechanisms by which norfluoxetine inhibits TREK-2 K2P channels, showing state-independent effects and interactions with filter stability and voltage-dependent gating.

Electric field induced wetting of a hydrophobic gate in a model nanopore based on the 5-HT3 receptor channel

This study uses molecular dynamics simulations to show that an electric field can induce wetting of a hydrophobic gate in a nanopore model based on the 5-HT3 receptor, revealing asymmetric responses and liquid-vapour oscillations.

Induced Polarization in MD Simulations of the 5HT3 Receptor Channel

This study compares additive and polarizable models in MD simulations of the 5HT3 receptor channel to assess their impact on water and ion behavior in nanopores.

Selectivity Filter Instability Dominates the Low Intrinsic Activity of the TWIK-1 K2P K+ Channel

This study identifies the instability of the selectivity filter (SF) gate in TWIK-1 K2P channels as the primary cause of their low intrinsic activity.

Structure and assembly of calcium homeostasis modulator proteins

The paper determines the structures of CALHM1 and CALHM2 using cryo-EM and shows their unique oligomeric assembly and lipid interactions.

CHAP: a versatile tool for the structural and functional annotation of ion channel pores

The paper introduces CHAP, a computational tool that predicts hydrophobic gates in ion channel structures using molecular dynamics simulations to improve functional annotation.

A Heuristic Derived from Analysis of the Ion Channel Structural Proteome Permits the Rapid Identification of Hydrophobic Gates

The paper develops a heuristic model to predict hydrophobic gates in ion channels using radius and hydrophobicity data from molecular dynamics simulations and machine learning.