… International course and report were conceived by Pietro Cozzini and Glen E. Kellogg. … at
the University of Parma in the laboratories of Pietro Cozzini and Andrea Mozzarelli. She is now …

A series of hydrazones of 1,2-benzisothiazole hydrazides 1a–m, 2a–m, 3a–m, 4a–m, 5a–m
as well as their cyclic (1 and 4) and acyclic (2, 3 and 5) 1,2-benzisothiazole parent …

Two novel classes of cavitand-based coordination cages 7a−j and 8a−d have been
synthesized via self-assembly procedures. The main factors controlling cage self-assembly (CSA) …

The value of thoroughly understanding the thermodynamics specific to a drug discovery/design
study is well known. Over the past decade, the crucial roles of water molecules in protein …

The prediction of the binding affinity between a protein and ligands is one of the most
challenging issues for computational biochemistry and drug discovery. While the enthalpic …

Background The human taste experience is the result of five basic taste qualities, namely
sweet, salty, bitter, sour and umami. Sweet, bitter, and umami are mediated by G protein-…

In the search for xenoestrogens within food additives, we have analyzed the Joint FAO-WHO
expert committee database, containing 1500 compounds, using an integrated in silico and …

A statistically validated protocol to identify “relevant” water molecules in protein binding
sites using HINT score and a geometric descriptor termed Rank is described. In training, …

The inhibition of cysteine biosynthesis in prokaryotes and protozoa has been proposed to
be relevant for the development of antibiotics. Haemophilus influenzae O-acetylserine …

Structural water molecules within protein active sites are relevant for ligand−protein recognition
because they modify the active site geometry and contribute to binding affinity. In this …