Library Design, Search Methods, and Applications of Fragment-Based Drug Design
Rachelle J. Bienstock · ACS symposium series · 2011
Fragment-based drug design has recently risen to great prominence as a new methodology for novel lead identification. This chapter is a general overview of computational methods for all three phases of fragment-based ligand design: (1) Designing and Searching Fragment Libraries, (2) Computational Screening: Docking, and (3) Leads from Fragments: Fragment Growing and Linking. Appendix 1 at the end of this chapter summarizes a large number of computational methods and software programs available with associated web sites and references.