Hydrogen Bonds Computing Server (HBCS): an online web server to compute hydrogen-bond interactions and their precision

Hydrogen bonds in biological macromolecules play significant structural and functional roles. They are the key contributors to most of the interactions without which no living system exists. In view of this, a web-based computing server, the Hydrogen Bonds Computing Server (HBCS), has been developed to compute hydrogen-bond interactions and their standard deviations for any given macromolecular structure. The computing server is connected to a locally maintained Protein Data Bank (PDB) archive. Thus, the user can calculate the above parameters for any deposited structure, and options have also been provided for the user to upload a structure in PDB format from the client machine. In addition, the server has been interfaced with the molecular viewers Jmol and JSmol to visualize the hydrogen-bond interactions. The proposed server is freely available and accessible via the World Wide Web at http://bioserver1.physics.iisc.ernet.in/hbcs/.

Fast Computing For Lurr Of Earthquake Prediction

The LURR theory is a new approach for earthquake prediction, which achieves good results in earthquake prediction within the China mainland and regions in America, Japan and Australia. However, the expansion of the prediction region leads to the refinement of its longitude and latitude, and the increase of the time period. This requires increasingly more computations, and the volume of data reaches the order of GB, which will be very difficult for a single CPU. In this paper, a new method was introduced to solve this problem. Adopting the technology of domain decomposition and parallelizing using MPI, we developed a new parallel tempo-spatial scanning program.

Computing abuse related damages in the case of new entry: An illustration for the Directory Enquiry Services market

A number of European countries, among which the UK and Spain, have opened up their Directory Enquiry Services (DQs, or 118AB) market to competition. We analyse the Spanish case, where both local and foreign firms challenged the incumbent as of April 2003. We argue that the incumbent had the ability to abuse its dominant position, and that it was a perfectly rational strategy. In short,the incumbent raised its rivals' costs directly by providing an inferior quality version of the (essential) input, namely the incumbent's subscribers' database. We illustrate how it is possible to quantify the effect of abuse in situation were the entrant has no previous history in the market. To do this, we use the UK experience to construct the relevant counterfactual, that is the "but for abuse" scenario. After controlling for relative prices and advertising intensity, we find that one of the foreign entrants achieved a Spanish market share of only half of what it would have been in the absence of abuse.

Report on the Management and Administrative Computing Initiative - Vol II

UNIVERSITY GRANTS COMMITTEE REPORT ON THE INITIATIVE ON MANAGEMENT A~D ADMINISTRATIVE COMPUTING VOLUME II - REFERENCE MANUAL