Major goal of structural biology involve formation of protein-ligand complexes; in which the protein molecules act energetically in the course of binding. Therefore, perceptive of protein-ligand interaction will be very important for structure based drug design. Lack of knowledge of 3D structures has hindered efforts to understand the binding specificities of ligands with protein. With increasi...

THEMATICS (Theoretical Microscopic Titration Curves) is a simple, reliable computational predictor of the active sites of enzymes from structure. Our method, based on well-established Finite Difference Poisson-Boltzmann techniques, identifies the ionisable residues with anomalous predicted titration behaviour. A cluster of two or more such perturbed residues is a very reliable predictor of the ...

Medicinal use of the opium poppy (Papaver somniferum L) has ancient history, but the isolation of morphine was not described until the early nineteenth century. Morphine is the most important alkaloid of opium poppy in the last 50 years. In the morphine pathway has been reported to generate morphine in this species, CODM has a crucial role as the gene coding the enzyme respons...

Medicinal use of the opium poppy (Papaver somniferum L) has ancient history, but the isolation of morphine was not described until the early nineteenth century. Morphine is the most important alkaloid of opium poppy in the last 50 years. In the morphine pathway has been reported to generate morphine in this species, CODM has a crucial role as the gene coding the enzyme respons...

TRiC is an important group II chaperonin that facilitates the folding of many eukaryotic proteins. The TRiC complex consists of two stacked rings, each comprised of eight paralogous subunits with a mutual sequence identity of 30-35%. Each subunit has unique functional roles that are manifested by corresponding sequence conservation. It is generally assumed that the subunit order within each rin...

Understanding of drug binding to the human biogenic amine transporters (BATs) is essential to explain the mechanism of action of these pharmaceuticals but more importantly to be able to develop new and improved compounds to be used in the treatment of depression or drug addiction. Until recently no high resolution structure was available of the BATs and homology modeling was a necessity. Variou...

Sequence-based prediction of protein secondary structure (SS) enjoys wide-spread and increasing use for the analysis and prediction of numerous structural and functional characteristics of proteins. The lack of a recent comprehensive and large-scale comparison of the numerous prediction methods results in an often arbitrary selection of a SS predictor. To address this void, we compare and analy...