L. R. Forrest

Identification of the potassium binding site in serotonin transporter SERT

This study identifies the Na2 site as the potassium binding site in SERT using molecular dynamics simulations and site-directed mutagenesis.

Membrane free-energy landscapes derived from atomistic dynamics explain nonuniversal cholesterol-induced stiffening

This study uses enhanced molecular dynamics simulations to quantify cholesterol-induced stiffening in lipid membranes and shows its lipid-specific nature.

Autoregulation of a trimeric transporter involves the cytoplasmic domains of both adjacent subunits

This study uses molecular simulations to analyze the autoregulatory domains of BetP, showing how C-terminal tails interact with neighboring subunits and how N-terminal tails may also contribute to regulation.

Osmotic stress response in BetP: How lipids and K+ team up to overcome downregulation

This study investigates how K+ and lipids regulate BetP's osmotic stress response by analyzing structural changes and K+ interactions in BetP.

Global alignment and assessment of TRP channel transmembrane domain structures to explore functional mechanisms

The paper aligns TRP channel transmembrane domains to identify conserved structural features and functional mechanisms.

Structural Interpretation of Hydrogen-Deuterium Exchange with Maximum-Entropy Simulation Reweighting

This paper introduces HDXer, a method to generate structural ensembles from HDX-MS data using maximum-entropy reweighting, demonstrating its ability to recover accurate structural information from simulated data.

A structural model of the human serotonin transporter in an outward-occluded state

This paper presents a homology model of the human serotonin transporter in an outward-occluded state, validated through molecular dynamics simulations, revealing distinct interactions compared to an outward-open conformation.

Structural elements required for coupling ion and substrate transport in the neurotransmitter transporter homolog LeuT.

This study identifies conserved tyrosine residues and domain interactions in LeuT that enable substrate-induced conformational changes necessary for ion-substrate coupling in NSS transporters.

Assignment of the resting state of the secondary active transporter BetP by integrating spectroscopic measurements and molecular simulations

The paper assigns the resting state of BetP by integrating spectroscopic measurements and molecular simulations to clarify its transport mechanism.