The pose of the molecule in the binding site The binding affinity or a score representing the strength of binding Images from Charaka Goonatilake’s web page, Glen Group, Unilever Centre, Cambridge ![]() Protein-ligand docking A Structure-Based Drug Design (SBDD) method “ structure” means “using protein structure” Computational method that mimics the binding of a ligand to a protein Given. Outline Introduction to protein-ligand docking Searching for poses Scoring functions Assessing performance Practical aspects Noel O’Boyle University College Cork Jan 2010 EBI Hands-on Training Small Molecule Bioactivity Resources at the EBI
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |