Trends in High-Performance Computing Requirements for Computer- Aided Drug Design

George      Vacek; Dave      Mullally; Knute      Christensen

doi:10.2174/157340908783769247

Abstract

Computer-aided drug design (CADD) has become a mainstream component of the drug discovery and development process. High Performance Computing (HPC) provides the power that allows CADD researchers to explore more designs in less time, and some of the greatest improvements in CADD result directly from advances in HPC. This paper examines some of the more significant trends in HPC that influence computer-aided drug design (CADD).

Keywords: High-performance computing, blades servers, multi-core processors, grid computing, hardware accelerators

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Current Computer-Aided Drug Design

Title: Trends in High-Performance Computing Requirements for Computer- Aided Drug Design

Volume: 4 Issue: 1

Author(s): George Vacek, Dave Mullally and Knute Christensen

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Keywords: High-performance computing, blades servers, multi-core processors, grid computing, hardware accelerators

Abstract: Computer-aided drug design (CADD) has become a mainstream component of the drug discovery and development process. High Performance Computing (HPC) provides the power that allows CADD researchers to explore more designs in less time, and some of the greatest improvements in CADD result directly from advances in HPC. This paper examines some of the more significant trends in HPC that influence computer-aided drug design (CADD).

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Vacek George, Mullally Dave and Christensen Knute, Trends in High-Performance Computing Requirements for Computer- Aided Drug Design, Current Computer-Aided Drug Design 2008; 4 (1) . https://dx.doi.org/10.2174/157340908783769247