Membrane protein structure, function, and dynamics: a perspective from experiments and theory
Membrane proteins mediate processes that are fundamental for the flourishing of biological
cells. Membrane-embedded transporters move ions and larger solutes across membranes; …
cells. Membrane-embedded transporters move ions and larger solutes across membranes; …
[HTML][HTML] Structural insights on TRPV5 gating by endogenous modulators
…, RA Pumroy, AT Yazici, MA Kasimova… - Nature …, 2018 - nature.com
TRPV5 is a transient receptor potential channel involved in calcium reabsorption. Here we
investigate the interaction of two endogenous modulators with TRPV5. Both …
investigate the interaction of two endogenous modulators with TRPV5. Both …
Domain–domain interactions determine the gating, permeation, pharmacology, and subunit modulation of the IKs ion channel
MA Zaydman, MA Kasimova, K McFarland, Z Beller… - Elife, 2014 - elifesciences.org
10.7554/eLife.03606.001 Voltage-gated ion channels generate electrical currents that control
muscle contraction, encode neuronal information, and trigger hormonal release. Tissue-…
muscle contraction, encode neuronal information, and trigger hormonal release. Tissue-…
The contribution of lipid peroxidation to membrane permeability in electropermeabilization: A molecular dynamics study
L Rems, M Viano, MA Kasimova, D Miklavčič… - Bioelectrochemistry, 2019 - Elsevier
Electroporation or electropermeabilization is a technique that enables transient increase in
the cell membrane permeability by exposing cells to pulsed electric field. However, the …
the cell membrane permeability by exposing cells to pulsed electric field. However, the …
[PDF][PDF] Molecular insights from conformational ensembles via machine learning
O Fleetwood, MA Kasimova, AM Westerlund… - Biophysical …, 2020 - cell.com
Biomolecular simulations are intrinsically high dimensional and generate noisy data sets of
ever-increasing size. Extracting important features from the data is crucial for understanding …
ever-increasing size. Extracting important features from the data is crucial for understanding …
Deorphanizing peptides using structure prediction
F Teufel, JC Refsgaard, MA Kasimova… - Journal of chemical …, 2023 - ACS Publications
Many endogenous peptides rely on signaling pathways to exert their function, but identifying
their cognate receptors remains a challenging problem. We investigate the use of AlphaFold…
their cognate receptors remains a challenging problem. We investigate the use of AlphaFold…
Helix breaking transition in the S4 of HCN channel is critical for hyperpolarization-dependent gating
MA Kasimova, D Tewari, JB Cowgill, WC Ursuleaz… - Elife, 2019 - elifesciences.org
In contrast to most voltage-gated ion channels, hyperpolarization- and cAMP gated (HCN)
ion channels open on hyperpolarization. Structure-function studies show that the voltage-…
ion channels open on hyperpolarization. Structure-function studies show that the voltage-…
Free-energy landscape of ion-channel voltage-sensor–domain activation
L Delemotte, MA Kasimova, ML Klein… - Proceedings of the …, 2015 - National Acad Sciences
Voltage sensor domains (VSDs) are membrane-bound protein modules that confer voltage
sensitivity to membrane proteins. VSDs sense changes in the transmembrane voltage and …
sensitivity to membrane proteins. VSDs sense changes in the transmembrane voltage and …
[HTML][HTML] Two-stage electro–mechanical coupling of a KV channel in voltage-dependent activation
…, X Xu, KMF White, MA Zaydman, MA Kasimova… - Nature …, 2020 - nature.com
In voltage-gated potassium (K V ) channels, the voltage-sensing domain (VSD) undergoes
sequential activation from the resting state to the intermediate state and activated state to …
sequential activation from the resting state to the intermediate state and activated state to …
[PDF][PDF] Pulsed electric fields can create pores in the voltage sensors of voltage-gated ion channels
… Ion passage through pores formed in the system was determined by a custom MATLAB (The
MathWorks, Natick, MA) code based on the positions of ions extracted from the trajectories. …
MathWorks, Natick, MA) code based on the positions of ions extracted from the trajectories. …