Protein receptor rearrangements upon ligand binding are a major complicating factor in structure-based drug design. An accurate prediction of these so-called induced fit phenomena calls for ligand docking and virtual screening approaches capable of considering receptor flexibility. We present Fleksy [1], a flexible approach aimed at accurately positioning small molecule ligands into a protein r...

The bandwidth-limited wireless channel can considerably improve the performance by exploiting multiple-input-multiple-output (MIMO) antennas. Combining spatial multiplexing with multiuser diversity, we develop an optimal cross-layer scheduling mechanism that executes fair scheduling at the upper layer and optimal antenna assignment at the physical layer. For fair scheduling, we propose a framew...

The scheduling based routing scheme is presented in this paper to avoid link failure. The main objective of this system is to introduce a cross-layer protocol framework that integrates routing with priority-based traffic management and distributed transmission scheduling. The reservation scheme is based on ID. The presented scheme guarantees that bandwidth reserved time slot is used by another ...

Grid Datafarm (GFarm) is a Japanese national project that aims to design an infrastructure for global petascale data intensive computing. GFarm tools and APIs are provided to handle large data files in both single filesystem image and local file views. While the Grid Datafarm is originally motivated by high energy physics applications, it is a generic distributed I/O management and scheduling i...

Many data exploration applications require the ability to identify the top-k results according to a scoring function. We study a class of top-k ranking problems where top-k candidates in a dataset are scored with the assistance of another set. We call this class of workloads cross aggregate ranking. Example computation problems include evaluating the Hausdorff distance between two datasets, fin...

Cross docking is a logistics strategy that strives to reduce inventory holding costs, shipping costs, and delays in delivering the products. In this research, an optimization model is presented for split loading and unloading products by suppliers and customers, vehicle routing with fuzzy possibilistic time window constraints among them, assignment of vehicles to cross dock, consolidation and i...