Gas-phase studies concerning interactions between neutral or charged species in molecular
clusters allow for the investigation of the forces which govern structures and reaction …

Nucleic acids show immense potential to treat cancer, acquired immune deficiency
syndrome, neurological diseases and other incurable human diseases. Upon systemic …

Normal and modified urinary nucleosides represent potential biomarkers for cancer
diagnosis. To selectively extract modified nucleosides, we developed a molecularly …

We present both experimental and theoretical gas-phase studies of several noncovalent
complexes of elementary molecules of biological interest: adenine, imidazole, pyrrole, and …

A total of 23 hydrogen bonded complexes between the lowest energy tautomers of uracil
and glycine have been characterized at the density functional level of theory with a hybrid …

Hydrogen-bonded dimers of uracil, N1-methyluracil, cysteine, lysine and phenylalanine
have been studied by density functional theory (DFT), at the B3LYP/6-311++ G** level, with …

The interactions of the amino acid side-chains arginine (ARG), aspartic acid (ASP),
asparagine (ASN), lysine (LYS) and serine (SER) with nucleic acid base pairs have been …

The H-bond complex formation between 1-methyluracil and glycine has been investigated
by theoretical calculations and the most stable complex configurations have been identified …

A combined experimental-theoretical approach to modeling of building blocks of recognition
complexes formed by nucleic acid bases and the amino-acids side-chain amino group is …

Density functional theory (DFT) has been used to optimize the hydrated structures of
adenine. The systematic investigation in the hydration process of adenine is performed. The …