Objective A deeper appreciation of the nature of molecular interactions between a protein and a ligand would potentially improve the ability of chemists to design drugs. Information about molecular interactions can be obtained from X-ray structures, the number of which has increased rapidly over the past few years. It is therefore proposed to carry out a detailed analysis of the X-ray structures contained within various databases and in particular the Cambridge Structural Database. It is anticipated that this will result in the identification of a number of novel interactions as well as providing a more comprehensive description of well established interactions. Once identified, information about these interactions will be incorporated into a user friendly, relational database with the aim of facilitating the consideration of such information by medicinal chemists in designing novel ligands for proteinaceous enzymes and receptors, for potential use in therapy. Fields of science natural sciencesbiological sciencesbiochemistrybiomoleculesproteinsenzymesnatural sciencescomputer and information sciencesdatabasesrelational databases Programme(s) FP4-TMR - Specific research and technological development programme in the field of the training and mobility of researchers, 1994-1998 Topic(s) 0302 - Post-doctoral research training grants TC05 - Computational Chemistry & Modelling Call for proposal Data not available Funding Scheme RGI - Research grants (individual fellowships) Coordinator SmithKline Beecham Pharmaceuticals Ltd. EU contribution No data Address Great West Road TW8 9EP Brentford United Kingdom See on map Total cost No data Participants (1) Sort alphabetically Sort by EU Contribution Expand all Collapse all Not available Germany EU contribution No data Address See on map Total cost No data
