Pirooz Vakili
Optimizing and Learning Strategies for Protein Docking
Protein docking is defined as predicting the three-dimensional structure of the docked complex based on knowledge of the structure of the components. Experimental techniques for this purpose are often expensive, time-consuming, and in some cases, not feasible; hence the need for computational docking methods. The problem of finding the docked conformation is generally formulated as […]
Systematic Design of Porous Heterogeneous Hierarchical Materials and Structures to Optimize Reactive Transport Processes
Many of today’s high performance materials are required to perform multiple functions to be most effective for a variety of reactive transport applications such as catalysts for fuel upgrading, adsorbents for carbon dioxide capture, electrodes for batteries, membranes for water treatment or anti-bacterial agents for biomedical applications. The required material systems are often combinations of […]
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 […]