Prospective Applications of Structure-Based Drug Design Methods: Comparing to Intuition and Other Typical Scoring Methods
Free Energy Calculations with FEP+: Retrospective Validation and Prospective Applicationsby Dr. Woody Sherman
A New Approach to Identifying Common Pharmacophores Using Pharmacophore Feature-Based Shape Alignmentby Drs. Matt Repasky and Steve Dixon
This presentation goes over methodology and validation of the new shape-based common pharmacophore perception approach. Validation is focused on interpretabiiity of rank-ordered hypotheses and selectivity in virtual screening. ConfGenX is also mentioned and highlights of the Phase interface are presented.