A simple and fuzzy method to align and compare druggable ligand-binding sites
A novel method to measure distances between druggable protein cavities is presented.
A novel method to measure distances between druggable protein cavities is presented.
A three-dimensional model of the chemokine receptor CCR5 has been built to fulfill structural peculiarities of its α-helix bundle and to distinguish known CCR5 antagonists from …
Starting from the 2.
Neurokinin A stimulates physiological responses in the peripheral and central nervous systems upon interacting primarily with the tachykinin NK2 receptor (NK2R).
Protein−ligand interaction fingerprints have been used to postprocess docking poses of three ligand data sets: a set of 40 low-molecular-weight compounds from the Protein Data …
Paradigms in drug design and discovery are changing at a significant pace.
A collection of 2150 druggable active sites from the Protein Data Bank was screened by high-throughput docking to identify putative targets for five representative molecules of a …
Schistosoma mansoni NAD(P)+ catabolizing enzyme (SmNACE) is a new member of the ADP-ribosyl cyclase family.
G protein-coupled receptors (GPCRs) represent a protein family with a wide range of functions.
A structure−activity relationship (SAR) study was performed principally at the N1 position of N1-arylsulfonyl-N2-[1-(1-naphthyl)ethyl]-trans-1,2-diaminocyclohexanes, a new family …