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 …

Conspectus Molecular association of proteins with nucleic acids is required for many
biological processes essential to life. Electrostatic interactions via ion pairs (salt bridges) of …

AS1411 aptamer can function as a recognition probe to detect the cell surface nucleolin
overexpressed in cancer cells, however, little is known about their binding process. This …

RNA molecules play a key role in countless biochemical processes. RNA interactions, which
are of highly diverse nature, are determined by the fact that RNA is a highly negatively …

The role of G-quadruplexes in human cancers is increasingly well-defined. Accordingly, G-
quadruplexes can be suitable drug targets and many small molecules have been identified …

Since the development of the first docking program in 1982, the use of docking-based in
silico screening for potentially bioactive molecule discovery has become a common strategy …

Quadruplex DNAs can fold into a variety of distinct topologies, depending in part on loop
types and orientations of individual strands, as shown by high-resolution crystal and NMR …

Sophisticated analysis and simplified visualization are crucial for understanding complicated
structures of biomacromolecules. DSSR (Dissecting the Spatial Structure of RNA) is an …

G-quadruplexes have raised considerable interest during the past years for the development
of therapies against cancer. These noncanonical structures of DNA may be found in …

Electrostatic interactions are fundamental to RNA structure and function, and intimately
influenced by solvation and the ion atmosphere. RNA enzymes, or ribozymes, are catalytic …