Structural modeling of proteins by integrating small-angle x-ray scattering data

Elucidating the structure of large biomolecules such as multi-domain proteins or protein complexes is challenging due to their high flexibility in solution. Recently, an ＂integrative structural biology＂ approach has been proposed, which aims to determine the protein structure and characterize protein flexibility by combining complementary high- and lowresolution experimental data using computer simulations. Small-angle x-ray scattering（SAXS） is an efficient technique that can yield low-resolution structural information, including protein size and shape. Here, we review computational methods that integrate SAXS with other experimental datasets for structural modeling. Finally, we provide a case study of determination of the structure of a protein complex formed between the tandem SH3 domains in c-Cb1-associated protein and the proline-rich loop in human vinculin.

An integrated approach for dynamic traffic routing and ramp metering using sliding mode control

The problem of designing integrated traffic control strategies for highway networks with the use of route guidance, ramp metering is considered. The highway network is simulated using a first order macroscopic model called LWR model which is a mathematical traffic flow model that formulates the relationships among traffic flow characteristics in terms of density, flow, and mean speed of the traffic stream. An integrated control algorithm is designed to solve the proposed problem, based on the inverse control technique and variable structure control（super twisting sliding mode）. Three case studies have been tested in the presence of an on-ramp at each alternate route and where there is a capacity constraint in the network. In the first case study, there is no capacity constraint at either upstream or downstream of the alternate routes and the function of the proposed algorithm is only to balance the traffic flow on the alternate routes. In the second case study, there is capacity constraint at downstream of alternate routes. The proposed algorithm aims to avoid congestion on the main road and balance the traffic flow on the alternate routes. In the last case study, there is capacity constraint at upstream of alternate routes. The objective of proposed algorithm is to avoid congestion on the main road and to balance the traffic flow on the alternate routes. The obtained results show that the proposed algorithms can establish user equilibrium between two alternate routes even when the on-ramps, located at alternate routes, have different traffic demands.