Binding of proteins to particular DNA sites across the genome is a primary determinant of
specificity in genome maintenance and gene regulation. DNA-binding specificity is encoded …

Polyampholytes are charged polymers with both positively and negatively charged groups.
The conformation of these polymers in solutions strongly depends on the distribution of …

Conversion of lignocellulose to biofuels is partly inefficient due to the deleterious impact of
cellulose crystallinity on enzymatic saccharification. We demonstrate how the synergistic …

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 …

The characteristics of N H··· O, O H··· O, and C H··· O hydrogen bonds and other weak
intermolecular interactions are analyzed in a large and diverse group of 251 protein–ligand …

The second edition of Structure in Protein Chemistry showcases the latest developments
and innovations in the field of protein structure analysis and prediction. The book begins by …

▪ 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 …

Water molecules are often found at the binding interface of biomolecular complexes
mediating the interaction between polar groups viahydrogen bonds, or simply filling space …

▪ Abstract Structural data on protein-DNA complexes provide clues for understanding the
mechanism of protein-DNA recognition. Although the structures of a large number of protein …

The heterogeneous nature of a protein surface plays an essential role in its biological
activity and molecular recognition, and this role is mediated at least partly through the …