The relationship between the Ser, Thr, and Cys side-chain conformation (χ 1 =g − , t, g + )
and the main-chain conformation (ϕ and ψ angles) has been studied in a selection of protein …

G-protein-coupled receptors (GPCRs) are involved in numerous physiological processes and
are the most frequent targets of approved drugs. The explosion in the number of new three-…

Motivation: Integral polytopic membrane proteins contain only two types of folds in their
transmembrane domains: α-helix bundles and β-barrels. The increasing number of available …

Functionally required conformational plasticity of transmembrane proteins implies that specific
structural motifs have been integrated in transmembrane helices. Surveying a database of …

We present in this study an optimization of a preliminary pharmacophore model for 5-HT 7
R antagonism, with the incorporation of recently reported ligands and using an efficient …

Autosomal dominant mutations in GRIN2B are associated with severe encephalopathy, but
little is known about the pathophysiological outcomes and any potential therapeutic …

CCR5 is a G protein-coupled receptor responding to four natural agonists, the chemokines
RANTES (regulated on activation normal T cell expressed and secreted), macrophage …

Sirtuins are key players of metabolic stress response. Originally described as deacetylases,
some sirtuins also exhibit poorly understood mono–adenosine 5′-diphosphate (ADP)–…

The interactions of Met and Cys with other amino acid side chains have received little
attention, in contrast to aromatic–aromatic, aromatic–aliphatic or/and aliphatic–aliphatic …

… Xavier Altafaj, Mireia Olivella, and David … Mireia Olivella and Adrián García-Recio compiled
and analyzed genetic, functional, and clinical information. Xavier Altafaj and Mireia Olivella …