Carbon-oxygen (CH··· O) hydrogen bonding represents an unusual category of molecular
interactions first documented in biological structures over 4 decades ago. Although CH··· O …

▪ Abstract Is it by design or by default that water molecules are observed at the interfaces of
some protein-DNA complexes? Both experimental and theoretical studies on the …

At the heart of drug design is the discovery of molecules that bind with high affinity to their
drug targets. Biotin forms the strongest known noncovalent ligand–protein interactions with …

Although hydrophobic interaction is the main contributing factor to the stability of the protein
fold, the specificity of the folding process depends on many directional interactions. An …

Recent studies confirm that CH... O hydrogen bonds have many, if not all, of the
spectroscopic and physical earmarks of “traditional” H-bonds. Only more recently have we …

This paper is a logical continuation of the theoretical survey of the CH⋯ O/N specific contacts
in the nucleobase pairs using a wide arsenal of the modern methods, which was initiated in …

Molecular dynamics simulations on DNA and RNA that include solvent are now being
performed under realistic environmental conditions of water activity and salt. Improvements …

Measuring the strength of the hydrogen bonds between DNA base pairs is of vital
importance for understanding how our genetic code is physically accessed and recognized …

A comprehensive database analysis of C H… O hydrogen bonds in 3124 α‐helices and
their corresponding helix termini has been carried out from a nonredundant data set of high …

Conformational preferences of modified nucleoside, N (4)-acetylcytidine, ac 4 C have been
investigated using quantum chemical semi-empirical RM1 method. Automated geometry …