1. Target Structure-Based Drug Discovery Group, SAIC-Frederick, Inc., National Cancer Institute at Frederick, Frederick, Maryland 21702, United States, Departments of Chemistry and Medicinal Chemistry, Purdue University, West Lafayette, Indiana 47907, United States, and Information Technology Branch and Screening Technologies Branch, Developmental Therapeutics Program, Division of Cancer Treatment and Diagnosis, National Cancer Institute at Frederick, National Institutes of Health, Frederick, Maryland 21702...