bioinformatics computing

Super-resolution biomolecular crystallography with low-resolution data Improved low-resolution crystallographic refinement with Phenix and Rosetta Computation can contribute to addressing such questions in at least two distinct ways. First, computational analysis is required to extract useful information from experimental measurements. Second, one can use computational techniques to predict structures, dynamics, and important biochemical properties.

Ultra-large library docking for discovering new chemotypes Prediction of Protein — Ligand Interactions. Docking and Scoring: Successes and Gaps Glide: A New Approach for Rapid, Accurate Docking and Scoring