Rule Concept in Design of Ligands

DOCK-Programme Desjaralis et al. (1990) first and foremost introduced to utilize this novel concept and philosophy in the well-known programme termed as DOCK. 

FOUNDATION FOUNDATION—programme hunts through the 3D-databses of various known and perceived chemical structures so as to help a researcher in finding a user-defined querry essentially made up of the coordinates of atoms and/or the corresponding bonds. Interestingly, in this particular programme one may have an access to almost all possible structures which prevalently comprise of any suitable combination of a user-specified minimum quantum of retrievable matching atoms and/or bonds. 

Methodologies for Docking There are several well-defined and generalized methodologies for docking, namely  

These different aspeets related to methodologies for docking shall now be treated individually in the sections that follows  

In general, these methods do require prominently the wisdom, skill, and above all the much desired intuition inherited by a medicinal chemist to solve many intricate problems invariably eneoun-tered, of course, with the help of ever-expanding horizons of computational technique. However, these methodologies are not only give rise to purely qualitative results, but also are time-consuming and labour-intensive nature. 

---