Antagonist binding and induced conformational dynamics of GPCR A2A adenosine receptor.
Pang X, Yang M, Han K.SourceState Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning, 116023, China.
The A2A adenosine receptor (A2A AR) is a unique G-protein coupled receptor (GPCR), because besides agonist, its antagonist could also lead to therapeutic relevance. Based on A2A AR-antagonist crystal structure, we have studied the binding mechanism of two distinct antagonists, ZM241385 and KW6002, a
Protein backbone and sidechain torsion angles predicted from NMR chemical shifts using artificial neural networks.
Shen Y, Bax A.SourceLaboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Building 5, Room 126 NIH, Bethesda, MD, 20892-0520, USA.
Journal of biomolecular NMR.J Biomol NMR.2013 Jul;56(3):227-41. doi: 10.1007/s10858-013-9741-y. Epub 2013 Jun 2.
A new program, TALOS-N, is introduced for predicting protein backbone torsion angles from NMR chemical shifts. The program relies far more extensively on the use of trained artificial neural networks than its predecessor, TALOS+. Validation on an independent set of proteins indicates that backbone t
TDDFT Calculations of Electronic Spectra of Benzoxazoles Undergoing Excited State Proton Transfer.
Syetov Y.SourceDepartment of Solid State Physics and Optoelectronics, Oles Gonchar Dnipropetrovsk National University, Prosp. Gagarina, 72, 49010, Dnipropetrovsk, Ukraine, setov2003@yahoo.com.
Journal of fluorescence.J Fluoresc.2013 Jul;23(4):689-96. doi: 10.1007/s10895-013-1196-8. Epub 2013 Mar 9.
Energies and oscillator strengths of vertical transitions for various rotameric and tautomeric species of 2-(2'-hydroxyphenyl)benzoxazole (HBO), 2,5-bis(2-benzoxazolyl)phenol (DBP) and 2,5-bis(2-benzoxazolyl)hydroquinone (BBHQ) have been calculated in the ground and first excited states with the use
How would you define rotameric? Add your definition here. Words near rotameric in the dictionary rotaliids rotalite rotalites rotamer rotameric rotamers rotameter rotane rotanes Rotarian Top Rated Word Lists My Word Lists ...
30 iety of motion types such as hinge, shear, twist, screw, rotameric side chains, normal modes and essential dynamics 31 losed (active) to open (inactive) is correlated with the rotameric state of the conserved residue 32 state. ...