3D-structures of proteins and potential ligands are the cornerstones of rational drug design. The first brick to build upon is selecting a protein target and finding out whether b...
Kristian Rother, Mathias Dunkel, Elke Michalsky, S...
DrugBank is a unique bioinformatics/cheminformatics resource that combines detailed drug (i.e. chemical)data withcomprehensive drug target (i.e.protein) information. The database ...
David S. Wishart, Craig Knox, Anchi Guo, Savita Sh...
Background: The functional and structural characterisation of enzymes that belong to microbial metabolic pathways is very important for structure-based drug design. The main inter...
Helen A. Arcuri, Geraldo F. D. Zafalon, Evandro A....
Abstract. The rational approach to pharmaceutical drug design begins with an investigation of the relationship between chemical structure and biological activity. Information gaine...
Increased availability of large repositories of chemical compounds has created new challenges and opportunities for the application of data-mining and indexing techniques to probl...