[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 …
Machine learning-based modeling of olfactory receptors in their inactive state: human OR51E2 as a case study
M Alfonso-Prieto, R Capelli - Journal of Chemical Information and …, 2023 - ACS Publications
Atomistic-level investigation of olfactory receptors (ORs) is a challenging task due to the
experimental/computational difficulties in the structural determination/prediction for members …
experimental/computational difficulties in the structural determination/prediction for members …
[HTML][HTML] Leri: a web-server for identifying protein functional networks from evolutionary couplings
NJ Cheung, ATJ Peter, B Kornmann - Computational and Structural …, 2021 - Elsevier
Abstract Information on the co-evolution of amino acid pairs in a protein can be used for
endeavors such as protein engineering, mutation design, and structure prediction. Here we …
endeavors such as protein engineering, mutation design, and structure prediction. Here we …
[HTML][HTML] AlloViz: A tool for the calculation and visualisation of protein allosteric communication networks
F Nerín-Fonz, C Caprai, A Morales-Pastor… - Computational and …, 2024 - Elsevier
Allostery, the presence of functional interactions between distant parts of proteins, is a
critical concept in the field of biochemistry and molecular biology, particularly in the context …
critical concept in the field of biochemistry and molecular biology, particularly in the context …
[HTML][HTML] Delineating the conformational landscape and intrinsic properties of the angiotensin II type 2 receptor using a computational study
X Cong, X Zhang, X Liang, X He, Y Tang… - Computational and …, 2022 - Elsevier
As a key regulator for the renin-angiotensin system, a class AG protein-coupled receptor
(GPCR), AngII type 2 receptor (AT 2 R), plays a pivotal role in the homeostasis of the …
(GPCR), AngII type 2 receptor (AT 2 R), plays a pivotal role in the homeostasis of the …
Ligand based conformational space studies of the μ-opioid receptor
DM Sena Jr, X Cong, A Giorgetti - Biochimica et Biophysica Acta (BBA) …, 2021 - Elsevier
Background G protein-coupled receptors (GPCRs) comprise a family of membrane proteins
that can be activated by a variety of external factors. The μ-opioid receptor (MOR), a class A …
that can be activated by a variety of external factors. The μ-opioid receptor (MOR), a class A …
[HTML][HTML] Evolution of frustrated and stabilising contacts in reconstructed ancient proteins
Energetic properties of a protein are a major determinant of its evolutionary fitness. Using a
reconstruction algorithm, dating the reconstructed proteins and calculating the interaction …
reconstruction algorithm, dating the reconstructed proteins and calculating the interaction …
[HTML][HTML] CovET: A covariation-evolutionary trace method that identifies protein structure–function modules
Measuring the relative effect that any two sequence positions have on each other may
improve protein design or help better interpret coding variants. Current approaches use …
improve protein design or help better interpret coding variants. Current approaches use …