Fragment Based Drug Design

<p>Part I. Tools </p> <p>1. Designing a Diverse High Quality Library for Crystallography Based FBDD Screening <br>Brett A. Tounge, Michael H. Parker </p> <p>2. Preparation of Protein Samples for NMR Structure, Function, and Small-Molecule Screening Studies <br>Thomas B. Acton, Rong Xiao, James Aramini, William A. Buchwald, Colleen Ciccosanti, Ken Conover, Keith Hamilton, Yuanpeng Janet Huang, Haleema Janjua, Paolo Rossi, Seema Sharma, G.V.T.Swapna, Huang Wang, Li Zhao, Gaetano T. Montelione </p> <p>3. Key Factors for Successful Generation of Protein-Fragment Structures: Requirements on Protein, Crystals, and Technology <br>Anja Jestel, Stefan Steinbacher </p> <p>4. Automated Crystal Amplification and Compound Dispensation for FBDD Analysis <br>Francis A. Lewandowski, Brett A. Tounge, Cynthia M. Milligan </p> <p>5. Hardware and Protocols for Rapid Fragment Based Structure Determination <br>Richard S. Alexander, John C. Spurlino </p> <p>6. Using Computational Techniques in Fragment-Based Drug Discovery <br>Renee L. DesJarlais </p> <p>7. Computational Approaches to De Novo Discovery of Fragment Binding for Unprecedented Protein States <br>Zenon D. Konteatis, Jinming Zou, Anthony E. Klon, Siavash Meshkat </p> <p>Part II. Practical Approaches </p> <p>8. How to Avoid Rediscovering the Known <br>Lawrence C. Kuo </p> <p>9. From Experimental Design to Data Analysis: A Comprehensive Walk-Through of Fragment Identification Using Surface Plasmon Resonance <br>Anthony M. Giannetti </p> <p>10. Practical Aspects of NMR Based Fragment Screening <br>Christopher Lepre </p> <p>11. Fluorescent Protein Thermal Shifts to Identify Low Molecular Weight Fragments <br>James K. Kranz, Matthew J. Todd </p> <p>12. A HTS Reporter Displacement Assay for Fragment Screening and Fragment Evolution Towards Leads with Optimized Binding Affinity, Binding Kinetics, and Kinetic Selectivity <br>Lars Neumann </p> <p>13. Fragment Screening of Stabilized G-Protein Coupled Receptors Using Biophysical Methods <br>Miles Congreve, Fiona H. Marshall, David Myszka, Gregg Siegal </p> <p>14. Predicting the Success of a Fragment Screening by X-Ray Crystallography <br>Douglas Davies, Lance Stewart </p> <p>15. Fragment Screening Purely with Protein Crystallography <br>John C. Spurlino </p> <p>16. Structure Density Relationship Based FBDD <br>Marta C. Abad, Xuqing Zhang, Alan C. Gibbs </p> <p>Part III. Lead Generation Examples </p> <p>17. Lead Generation and Examples – Opinions Regarding How to Follow Up Hits <br>Masaya Orita, Kazuki Ohno, Masaichi Warizaya, Yasushi Amano, Tatsuya Niimi </p> <p>18. High Throughput Thermodynamics for Selection of Fragment Hits and Guidance of Fragment Evolution <br>Lars Neumann </p> <p>19. Medicinal Chemistry Inspired Fragment Based Drug Discovery <br>James C. Lanter, Xuqing Zhang, Zhihua Sui </p> <p>20. Experiences in Fragment-Based Lead Discovery <br>Roderick E. Hubbard, James B. Murray </p> <p>21. Advancing Fragment Binders to Lead Like Compounds Using Ligand and Protein Based NMR Spectroscopy <br>Till Maurer </p> <p>22. Effective Progression of NMR-Directed Fragment Hits <br>Hugh Eaton, Daniel Wyss </p> <p>23. Fragment Screening of Infectious Disease Targets in a Structural Genomics Environment <br>Douglas Davies, Lance Stewart</p>