Ioannis (Yannis) Ch. Paschalidis
AF: Small: Manifold optimization algorithms for protein-protein docking
Proteins are the major building blocks of the cell. Many proteins perform their function by interacting with other proteins. In a typical cell hundreds of thousands of different protein interactions take place. Characterizing these interactions helps elucidate how living organisms function at the molecular level, contributes towards the development of treatments against diseases such as […]
SHB: Type II (INT): Collaborative Research: Algorithmic Approaches to Personalized Health Care
The US health care system spends major resources on the treatment of acute conditions in a hospital setting rather than focusing on prevention and keeping patients out of the hospital. While there is no broad agreement on the potential solutions, structural reform is on the horizon. The meaningful use of Electronic Health Records (EHRs) is […]
Refinement Methods for Protein Docking based on Exploring Multi-Dimensional Energ
All successful state-of-the-art protein docking methods employ a so called multistage approach. At the first stage of such approaches a rough energy potential is used to score billions of conformations. At a second stage, thousands of conformations with the best scores are retained and clustered based on a certain similarity metric. Cluster centers correspond to […]