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 …

The molecular basis of G protein–coupled receptor activation

WI Weis, BK Kobilka - Annual review of biochemistry, 2018 - annualreviews.org
G protein–coupled receptors (GPCRs) mediate the majority of cellular responses to external
stimuli. Upon activation by a ligand, the receptor binds to a partner heterotrimeric G protein …

Biomolecular simulation: a computational microscope for molecular biology

RO Dror, RM Dirks, JP Grossman, H Xu… - Annual review of …, 2012 - annualreviews.org
Molecular dynamics simulations capture the behavior of biological macromolecules in full
atomic detail, but their computational demands, combined with the challenge of …

Action of molecular switches in GPCRs-theoretical and experimental studies

B Trzaskowski, D Latek, S Yuan… - Current medicinal …, 2012 - ingentaconnect.com
G protein coupled receptors (GPCRs), also called 7TM receptors, form a huge superfamily of
membrane proteins that, upon activation by extracellular agonists, pass the signal to the cell …

Structural basis of ligand recognition and self-activation of orphan GPR52

X Lin, M Li, N Wang, Y Wu, Z Luo, S Guo, GW Han, S Li… - Nature, 2020 - nature.com
GPR52 is a class-A orphan G-protein-coupled receptor that is highly expressed in the brain
and represents a promising therapeutic target for the treatment of Huntington's disease and …

Computational 'microscopy'of cellular membranes

HI Ingólfsson, C Arnarez, X Periole… - Journal of cell …, 2016 - journals.biologists.com
Computational 'microscopy'refers to the use of computational resources to simulate the
dynamics of a molecular system. Tuned to cell membranes, this computational …

The significance of G protein-coupled receptor crystallography for drug discovery

JA Salon, DT Lodowski, K Palczewski… - Pharmacological reviews, 2011 - Elsevier
Crucial as molecular sensors for many vital physiological processes, seven-transmembrane
domain G protein-coupled receptors (GPCRs) comprise the largest family of proteins …

[HTML][HTML] Delineating the activation mechanism and conformational landscape of a class BG protein-coupled receptor glucagon receptor

Y Wang, M Li, W Liang, X Shi, J Fan, R Kong… - Computational and …, 2022 - Elsevier
Class BG protein-coupled receptors (GPCRs) are important targets in the treatment of
metabolic syndrome and diabetes. Although multiple structures of class B GPCRs–G protein …

Computational studies of SARS-CoV-2 3CLpro: Insights from MD simulations

A Grottesi, N Bešker, A Emerson, C Manelfi… - International journal of …, 2020 - mdpi.com
Given the enormous social and health impact of the pandemic triggered by severe acute
respiratory syndrome 2 (SARS-CoV-2), the scientific community made a huge effort to …

[HTML][HTML] A lipid pathway for ligand binding is necessary for a cannabinoid G protein-coupled receptor

DP Hurst, A Grossfield, DL Lynch, S Feller… - Journal of Biological …, 2010 - ASBMB
Recent isothiocyanate covalent labeling studies have suggested that a classical
cannabinoid,(−)-7′-isothiocyanato-11-hydroxy-1′, 1′ dimethylheptyl …