Gaussian accelerated molecular dynamics: Principles and applications
Gaussian accelerated molecular dynamics (GaMD) is a robust computational method for
simultaneous unconstrained enhanced sampling and free energy calculations of …
simultaneous unconstrained enhanced sampling and free energy calculations of …
Microbial and animal rhodopsins: structures, functions, and molecular mechanisms
OP Ernst, DT Lodowski, M Elstner, P Hegemann… - Chemical …, 2014 - ACS Publications
Organisms of all domains of life use photoreceptor proteins to sense and respond to light.
The light-sensitivity of photoreceptor proteins arises from bound chromophores such as …
The light-sensitivity of photoreceptor proteins arises from bound chromophores such as …
Structure determination of GPCRs: cryo-EM compared with X-ray crystallography
J García-Nafría, CG Tate - Biochemical Society Transactions, 2021 - portlandpress.com
G protein-coupled receptors (GPCRs) are the largest single family of cell surface receptors
encoded by the human genome and they play pivotal roles in co-ordinating cellular systems …
encoded by the human genome and they play pivotal roles in co-ordinating cellular systems …
Structure-function of the G protein–coupled receptor superfamily
V Katritch, V Cherezov… - Annual review of …, 2013 - annualreviews.org
During the past few years, crystallography of G protein–coupled receptors (GPCRs) has
experienced exponential growth, resulting in the determination of the structures of 16 distinct …
experienced exponential growth, resulting in the determination of the structures of 16 distinct …
[HTML][HTML] The dynamic process of β2-adrenergic receptor activation
G-protein-coupled receptors (GPCRs) can modulate diverse signaling pathways, often in a
ligand-specific manner. The full range of functionally relevant GPCR conformations is poorly …
ligand-specific manner. The full range of functionally relevant GPCR conformations is poorly …
Activation of the A2A adenosine G-protein-coupled receptor by conformational selection
Conformational selection and induced fit are two prevailing mechanisms, to explain the
molecular basis for ligand-based activation of receptors. G-protein-coupled receptors are the …
molecular basis for ligand-based activation of receptors. G-protein-coupled receptors are the …
[HTML][HTML] PTH and vitamin D
SJ Khundmiri, RD Murray, E Lederer - Comprehensive Physiology, 2016 - ncbi.nlm.nih.gov
PTH and Vitamin D are two major regulators of mineral metabolism. They play critical roles
in the maintenance of calcium and phosphate homeostasis as well as the development and …
in the maintenance of calcium and phosphate homeostasis as well as the development and …
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 …
Structure and function of an irreversible agonist-β2 adrenoceptor complex
G-protein-coupled receptors (GPCRs) are eukaryotic integral membrane proteins that
modulate biological function by initiating cellular signalling in response to chemically …
modulate biological function by initiating cellular signalling in response to chemically …
Biased agonism: An emerging paradigm in GPCR drug discovery
G protein coupled receptors have historically been one of the most druggable classes of
cellular proteins. The members of this large receptor gene family couple to primary effectors …
cellular proteins. The members of this large receptor gene family couple to primary effectors …