Open Computing Grid for Molecular Science and Engineering

نویسندگان

  • Sulev Sild
  • Uko Maran
  • Andre Lomaka
  • Mati Karelson
چکیده

Grid is an emerging infrastructure for distributed computing that provides secure and scalable mechanisms for discovering and accessing remote software and data resources. Applications built on this infrastructure have great potential for addressing and solving large scale chemical, pharmaceutical, and material science problems. The article describes the concept behind grid computing and will present the OpenMolGRID system that is an open computing grid for molecular science and engineering. This system provides grid enabled components, such as a data warehouse for chemical data, software for building QSPR/QSAR models, and molecular engineering tools for generating compounds with predefined chemical properties or biological activities. The article also provides an overview about the availability of chemical applications in the grid.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Stability Assessment Metamorphic Approach (SAMA) for Effective Scheduling based on Fault Tolerance in Computational Grid

Grid Computing allows coordinated and controlled resource sharing and problem solving in multi-institutional, dynamic virtual organizations. Moreover, fault tolerance and task scheduling is an important issue for large scale computational grid because of its unreliable nature of grid resources. Commonly exploited techniques to realize fault tolerance is periodic Checkpointing that periodically ...

متن کامل

Data Replication-Based Scheduling in Cloud Computing Environment

Abstract— High-performance computing and vast storage are two key factors required for executing data-intensive applications. In comparison with traditional distributed systems like data grid, cloud computing provides these factors in a more affordable, scalable and elastic platform. Furthermore, accessing data files is critical for performing such applications. Sometimes accessing data becomes...

متن کامل

E2DR: Energy Efficient Data Replication in Data Grid

Abstract— Data grids are an important branch of gird computing which provide mechanisms for the management of large volumes of distributed data. Energy efficiency has recently emerged as a hot topic in large distributed systems. The development of computing systems is traditionally focused on performance improvements driven by the demand of client's applications in scientific and business domai...

متن کامل

Grid Computing and Component-Based Software Engineering in Computer Supported Collaborative Learning

This paper presents our research efforts towards enabling the use of grid infrastructures for supporting Computer Supported Collaborative Learning (CSCL) applications developed according to the principles of ComponentBased Software Engineering (CBSE). An illustrative example of a gridsupported component-based collaborative learning application is presented and discussed. This discussion leads t...

متن کامل

Weighted-HR: An Improved Hierarchical Grid Resource Discovery

Grid computing environments include heterogeneous resources shared by a large number of computers to handle the data and process intensive applications. In these environments, the required resources must be accessible for Grid applications on demand, which makes the resource discovery as a critical service. In recent years, various techniques are proposed to index and discover the Grid resource...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • Journal of chemical information and modeling

دوره 46 3  شماره 

صفحات  -

تاریخ انتشار 2006