Library Design, Search Methods, and Applications of Fragment-Based Drug Design

Preface ; 1. Overview: Fragment-Based Drug Design ; Rachelle J. Bienstock ; Section I: Designing and Searching Fragment Libraries ; 2. Validation of Reaction Vectors for de Novo Design ; Dimitar Hristozov, Michael Bodkin, Beining Chen, Hina Patel, and Valerie J. Gillet ; 3. Design and Application of Fragment Libraries for Protein Crystallography ; John Badger ; 4. Ligand-Based Virtual Screening Using Bayesian Inference Network ; Ammar Abdo and Naomie Salim ; 5. A Computational Fragment Approach by Mining the Protein Data Bank: Library Design and Bioisosterism ; F. Moriaud, S. A. Adcock, A. Vorotyntsev, O. Doppelt-Azeroual, S. B. Richard, and F. Delfaud ; Section II: Computational Screening: Docking ; 6. A Fragment-Based Docking Engine: eHiTS ; Zsolt Zsoldos, Ph.D. ; 7. Fragment-Based High-Throughput Docking and Library Tailoring ; Peter Kolb ; Section III: Leads from Fragments: Fragment Growing and Linking ; 8. In Silico Fragment-Based Generation of Drug-Like Compounds ; Peter S. Kutchukian, David Lou, and Eugene I. Shakhnovich ; 9. Fragment-Based Drug Discovery for Diseases of the Central Nervous System ; Vicki L Nienaber ; Editor's Biography ; Indexes ; Author Index ; Subject Index