Part I: Drug Binding Site Prediction, Design, and Descriptors 1. A Molecular Dynamics Ensemble-based Approach for the Mapping of Druggable Binding Sites Anthony Ivetac and J, Andrew McCammon 2. Analysis of Protein Binding Sites by Computational Solvent Mapping David R. Hall, Dima Kozakov, and Sandor Vajda 3. Evolutionary Trace for Prediction and Redesign of Protein Functional Sites Angela Wilkins, Serkan Erdin,...