GPCR dynamics: structures in motion
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 …
both human membrane proteins and drug targets depends critically on their ability to …
The molecular basis of G protein–coupled receptor activation
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 …
stimuli. Upon activation by a ligand, the receptor binds to a partner heterotrimeric G protein …
Biomolecular simulation: a computational microscope for molecular biology
Molecular dynamics simulations capture the behavior of biological macromolecules in full
atomic detail, but their computational demands, combined with the challenge of …
atomic detail, but their computational demands, combined with the challenge of …
Action of molecular switches in GPCRs-theoretical and experimental studies
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 …
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
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 …
and represents a promising therapeutic target for the treatment of Huntington's disease and …
Computational 'microscopy'of cellular membranes
Computational 'microscopy'refers to the use of computational resources to simulate the
dynamics of a molecular system. Tuned to cell membranes, this computational …
dynamics of a molecular system. Tuned to cell membranes, this computational …
The significance of G protein-coupled receptor crystallography for drug discovery
Crucial as molecular sensors for many vital physiological processes, seven-transmembrane
domain G protein-coupled receptors (GPCRs) comprise the largest family of proteins …
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 …
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 …
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 …
cannabinoid,(−)-7′-isothiocyanato-11-hydroxy-1′, 1′ dimethylheptyl …