Computational modeling of realistic cell membranes
Cell membranes contain a large variety of lipid types and are crowded with proteins,
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …
Emerging diversity in lipid–protein interactions
Membrane lipids interact with proteins in a variety of ways, ranging from providing a stable
membrane environment for proteins to being embedded in to detailed roles in complicated …
membrane environment for proteins to being embedded in to detailed roles in complicated …
[HTML][HTML] Psychedelics promote plasticity by directly binding to BDNF receptor TrkB
R Moliner, M Girych, CA Brunello, V Kovaleva… - Nature …, 2023 - nature.com
Psychedelics produce fast and persistent antidepressant effects and induce neuroplasticity
resembling the effects of clinically approved antidepressants. We recently reported that …
resembling the effects of clinically approved antidepressants. We recently reported that …
Molecular recognition of morphine and fentanyl by the human μ-opioid receptor
Morphine and fentanyl are among the most used opioid drugs that confer analgesia and
unwanted side effects through both G protein and arrestin signaling pathways of μ-opioid …
unwanted side effects through both G protein and arrestin signaling pathways of μ-opioid …
[HTML][HTML] Activation pathway of a G protein-coupled receptor uncovers conformational intermediates as targets for allosteric drug design
S Lu, X He, Z Yang, Z Chai, S Zhou, J Wang… - Nature …, 2021 - nature.com
G protein-coupled receptors (GPCRs) are the most common proteins targeted by approved
drugs. A complete mechanistic elucidation of large-scale conformational transitions …
drugs. A complete mechanistic elucidation of large-scale conformational transitions …
[PDF][PDF] Antidepressant drugs act by directly binding to TRKB neurotrophin receptors
It is unclear how binding of antidepressant drugs to their targets gives rise to the clinical
antidepressant effect. We discovered that the transmembrane domain of tyrosine kinase …
antidepressant effect. We discovered that the transmembrane domain of tyrosine kinase …
Improving protein-ligand docking results with high-throughput molecular dynamics simulations
H Guterres, W Im - Journal of Chemical Information and Modeling, 2020 - ACS Publications
Structure-based virtual screening relies on classical scoring functions that often fail to
reliably discriminate binders from nonbinders. In this work, we present a high-throughput …
reliably discriminate binders from nonbinders. In this work, we present a high-throughput …
Nanodiscs in membrane biochemistry and biophysics
IG Denisov, SG Sligar - Chemical reviews, 2017 - ACS Publications
Membrane proteins play a most important part in metabolism, signaling, cell motility,
transport, development, and many other biochemical and biophysical processes which …
transport, development, and many other biochemical and biophysical processes which …
Characterization of lipid–protein interactions and lipid-mediated modulation of membrane protein function through molecular simulation
The cellular membrane constitutes one of the most fundamental compartments of a living
cell, where key processes such as selective transport of material and exchange of …
cell, where key processes such as selective transport of material and exchange of …
Hormone-and antibody-mediated activation of the thyrotropin receptor
Abstract Thyroid-stimulating hormone (TSH), through activation of its G-protein-coupled
thyrotropin receptor (TSHR), controls the synthesis of thyroid hormone—an essential …
thyrotropin receptor (TSHR), controls the synthesis of thyroid hormone—an essential …