The protein-folding problem, 50 years on
The protein-folding problem was first posed about one half-century ago. The term refers to
three broad questions:(i) What is the physical code by which an amino acid sequence …
three broad questions:(i) What is the physical code by which an amino acid sequence …
Impact of GPCR structures on drug discovery
Structures of 70 unique G protein-coupled receptors (GPCRs) have been determined, with
over 370 structures in total bound to different ligands and the receptors in various …
over 370 structures in total bound to different ligands and the receptors in various …
How good are AlphaFold models for docking-based virtual screening?
V Scardino, JI Di Filippo, CN Cavasotto - Iscience, 2023 - cell.com
A crucial component in structure-based drug discovery is the availability of high-quality three-
dimensional structures of the protein target. Whenever experimental structures were not …
dimensional structures of the protein target. Whenever experimental structures were not …
Structure-based virtual screening for ligands of G protein–coupled receptors: what can molecular docking do for you?
G protein–coupled receptors (GPCRs) constitute the largest family of membrane proteins in
the human genome and are important therapeutic targets. During the last decade, the …
the human genome and are important therapeutic targets. During the last decade, the …
[HTML][HTML] Microscale thermophoresis quantifies biomolecular interactions under previously challenging conditions
Microscale thermophoresis (MST) allows for quantitative analysis of protein interactions in
free solution and with low sample consumption. The technique is based on thermophoresis …
free solution and with low sample consumption. The technique is based on thermophoresis …
Methods of protein structure comparison
Despite its apparent simplicity, the problem of quantifying the differences between two
structures of the same protein or complex is nontrivial and continues evolving. In this …
structures of the same protein or complex is nontrivial and continues evolving. In this …
Generic GPCR residue numbers–aligning topology maps while minding the gaps
Generic residue numbers facilitate comparisons of, for example, mutational effects, ligand
interactions, and structural motifs. The numbering scheme by Ballesteros and Weinstein for …
interactions, and structural motifs. The numbering scheme by Ballesteros and Weinstein for …
[HTML][HTML] Structure of the adenosine A2A receptor in complex with ZM241385 and the xanthines XAC and caffeine
AS Doré, N Robertson, JC Errey, I Ng, K Hollenstein… - Structure, 2011 - cell.com
Methylxanthines, including caffeine and theophylline, are among the most widely consumed
stimulant drugs in the world. These effects are mediated primarily via blockade of adenosine …
stimulant drugs in the world. These effects are mediated primarily via blockade of adenosine …
Diversity and modularity of G protein-coupled receptor structures
G protein-coupled receptors (GPCRs) comprise the most 'prolific'family of cell membrane
proteins, which share a general mechanism of signal transduction, but greatly vary in ligand …
proteins, which share a general mechanism of signal transduction, but greatly vary in ligand …
Docking techniques in pharmacology: How much promising?
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