Most drugs have been discovered in random screens or by exploiting information about
macromolecular receptors. One source of this information is in the structures of critical …

Ribonucleases (RNases) are mediators in most reactions of RNA metabolism. In recent
years, there has been a surge of new information about RNases and the roles they play in …

A very fast empirical method is presented for structure‐based protein pKa prediction and
rationalization. The desolvation effects and intra‐protein interactions, which cause variations …

In protein and RNA macromolecules, only a limited number of different side‐chain chemical
groups are available to function as catalysts. The myriad of enzyme‐catalyzed reactions …

Although molecular dynamics (MD) simulations have been used extensively to study the
structural dynamics of proteins, the role of MD simulation in studies of nucleic acid based …

Ribonuclease H is an endonuclease that hydrolyzes the RNA moiety of RNA–DNA duplex
molecules. Escherichia coliribonuclease H is involved in DNA replication, and retroviral …

HIV integrase is the enzyme responsible for inserting the viral DNA into the host
chromosome; it is essential for HIV replication. The crystal structure of the catalytically active …

Numerous studies, both in enzymatic and nonenzymatic catalysis, have been undertaken to
understand the way by which metal ions, especially zinc ions, promote the hydrolysis of …

A method (three-dimensional position-specific scoring matrix, 3D-PSSM) to recognise
remote protein sequence homologues is described. The method combines the power of …

Background: Streptococcal protein G comprises two or three domains that bind to the
constant Fc region of most mammalian immunoglobulin Gs (IgGs). Protein G is functionally …