The fragment to lead process is one of the most challenging steps in FBDD.  Examples from real FBDD projects will illustrate what computational approaches can contribute, covering areas such as, data management and analysis, binding site characterisation, the design of extensions to fragment hits and the impact that ligand-based methods can have in FBDD.  The deficiencies of current approaches, and prototype methods we have in development to address them will also be discussed.

Computational tools for facilitating the fragment to lead process

244th National Meeting (2012)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.