GPCR dynamics: structures in motion

NR Latorraca, AJ Venkatakrishnan, RO Dror - Chemical reviews, 2017 - ACS Publications
The function of G protein-coupled receptors (GPCRs) which represent the largest class of
both human membrane proteins and drug targets depends critically on their ability to …

[HTML][HTML] Best practices for quantification of uncertainty and sampling quality in molecular simulations [Article v1. 0]

A Grossfield, PN Patrone, DR Roe… - Living journal of …, 2018 - ncbi.nlm.nih.gov
The quantitative assessment of uncertainty and sampling quality is essential in molecular
simulation. Many systems of interest are highly complex, often at the edge of current …

Network switches and their role in circadian clocks

M Del Olmo, S Legewie, M Brunner, T Höfer… - Journal of Biological …, 2024 - ASBMB
Circadian rhythms are generated by complex interactions among genes and proteins. Self-
sustained∼ 24 h oscillations require negative feedback loops and sufficiently strong …

Mechanisms of lipid scrambling by the G protein-coupled receptor opsin

G Morra, AM Razavi, K Pandey, H Weinstein… - Structure, 2018 - cell.com
Several class-A G protein-coupled receptor (GPCR) proteins act as constitutive phospholipid
scramblases catalyzing the transbilayer translocation of> 10,000 phospholipids per second …

Lipids alter rhodopsin function via ligand-like and solvent-like interactions

LA Salas-Estrada, N Leioatts, TD Romo, A Grossfield - Biophysical journal, 2018 - cell.com
Rhodopsin, a prototypical G protein-coupled receptor, is a membrane protein that can sense
dim light. This highly effective photoreceptor is known to be sensitive to the composition of its …

Vibrational resonance, allostery, and activation in rhodopsin-like G protein-coupled receptors

KN Woods, J Pfeffer, A Dutta, J Klein-Seetharaman - Scientific reports, 2016 - nature.com
G protein-coupled receptors are a large family of membrane proteins activated by a variety
of structurally diverse ligands making them highly adaptable signaling molecules. Despite …

Long-Time Scale Simulations Reveal Key Dynamics That Drive the Onset of the N State in the Proteorhodopsin Photocycle

KR Billings, S Faramarzi, B Mertz - The Journal of Physical …, 2024 - ACS Publications
Proteorhodopsin (PR) is a microbial proton pump that plays a significant role in phototrophy
of bacteria in marine environments. Fundamental understanding of the structure–function …

[HTML][HTML] Retigabine increases the conformational stability of the visual photoreceptor rhodopsin

F Wang, P Fernandez-Gonzalez, JJ Perez… - International journal of …, 2024 - Elsevier
Rhodopsin is the key photoreceptor protein that mediates vision in low-light conditions.
Mutations in rhodopsin are the cause of retinal degenerative diseases such as retinitis …

Molecular dynamics methodologies for probing cannabinoid ligand/receptor interaction

DL Lynch, DP Hurst, DM Shore, MC Pitman… - Methods in …, 2017 - Elsevier
The cannabinoid type 1 and 2 G-protein-coupled receptors are currently important
pharmacological targets with significant drug discovery potential. These receptors have …

Investigating the dynamics of KDEL receptor signalling

F Spoendlin - 2022 - ora.ox.ac.uk
The KDEL receptor (KDELR) is a trafficking receptor which is involved in the retrograde
trafficking of ER resident proteins that escaped to the Golgi. For this function, the receptor …