Nucleic acid (NA)–ligand interactions have crucial roles in many cellular processes and,
thus, are increasingly attracting therapeutic interest in drug discovery. Molecular docking is a …

Nucleic acid (NA)–ligand interactions are of paramount importance in a variety of biological
processes, including cellular reproduction and protein biosynthesis, and therefore, NAs …

Nucleic acid–ligand interactions play an important role in numerous cellular processes such
as gene function expression and regulation. Therefore, nucleic acids such as RNAs have …

Nucleic acids have been widely recognized as potential targets in drug discovery and
aptamer selection. Quantifying the interactions between small molecules and nucleic acids …

Nucleic acid–ligand complexes underlie numerous cellular processes, such as gene
function expression and regulation, in which their three-dimensional structures are important …

With rapid advances in computer algorithms and hardware, fast and accurate virtual
screening has led to a drastic acceleration in selecting potent small molecules as drug …

Protein–RNA and protein–DNA interactions play fundamental roles in many biological
processes. A detailed understanding of these interactions requires knowledge about protein …

Protein–RNA interactions play an important role in many biological processes. The ability to
predict the molecular structures of protein–RNA complexes from docking would be valuable …

Protein–DNA recognition plays an important role in the regulation of gene expression.
Understanding the influence of specific residues for protein–DNA interactions and the …

Molecular modeling by means of docking and molecular dynamics (MD) has become an
integral part of early drug discovery projects, enabling the screening and enrichment of large …