NEC to Unveil New Molecular Dynamics Computational Server.Tokyo, Japan, Nov 29, 2005 - (JCN JCN Japan Corporate News JCN Journal of Cognitive Neuroscience JCN Journal of Cardiovascular Nursing JCN Journal of Christian Nursing JCN Job Control Number JCN Journal of Child Neurology JCN joint communications network (US DoD) Newswire) - NEC (NEC Corporation, Tokyo, www.nec.com, www.necus.com) An electronics conglomerate known in the U.S. for its monitors. In Japan, it had the lion's share of the PC market until the late 1990s (see PC 98). NEC was founded in Tokyo in 1899 as Nippon Electric Company, Ltd. Corporation today announced the launch of a molecular dynamics Molecular dynamics (MD) is a form of computer simulation wherein atoms and molecules are allowed to interact for a period of time under known laws of physics, giving a view of the motion of the atoms. computational server, NEC Express5800/MD Server in Japan. This new server reduces processing time of molecular dynamics (*1) simulation with a dedicated computation board "MD Engine(R)"(*2) that processes time-consuming computation, nonbonded interactions at high speed. This server is highly suited for new drug development. For new drug development, in silico screening; screening of candidate drug that affects target protein using simulation, such as the molecular dynamics (MD) simulation, is more important, instead of the conventional method using experimental screening. However, its use had been limited to the basic researches since determining molecular structure of target protein and estimating interactions between protein and candidate drug require a vast amount of computation time In computational complexity theory, computation time is a measure of how many steps are used by some abstract machine in a particular computation. For any given model of abstract machine, the computation time used by that abstract machine is a computational resource which can be ranging from days to months. "MD Engine(R)" is specialized in high-speed processing of programs dedicated for molecular dynamics simulation, and achieves high price/performance. NEC will actively combine its expertise in simulation technology and know-how in the biology field, and will actively develop solutions to promote new (in silico) drug discovery aided by computer simulation. Features of the new products are: 1. Dedicated computation board for high-speed computations of nonbonded interactions Simulation time has been dramatically reduced by an embedded "MD Engine(R)," a dedicated computation board for high-speed computation of nonbonded interactions such as coulomb force Coulomb force or electric force Force between two electric charges. The magnitude of the force F is proportional to the product of the two charges, q1 and q2, divided by the square of the distance r and intermolecular force In physics, chemistry, and biology, intermolecular forces are forces that act between stable molecules or between functional groups of macromolecules. These non-covalent forces, which give rise to bonding energies of less than a few kcal/mol, are generally much weaker than the that account for more than 99% in many cases of molecular dynamics simulation. It realizes as approximately 340 times as fast speed compared to MD computation (*3) on a conventional PC server. 2. Highly accurate calculation without cutoff Calculation on a molecule can be done with high accuracy because nonbonded interactions can be calculated without cutoff; a method of omitting a calculation of nonbonded interactions between long distance atoms, which is normally applied to reduce the computation time. This restrains the outbreak of simulation errors such as decomposition decomposition /de·com·po·si·tion/ (de-kom?pah-zish´un) the separation of compound bodies into their constituent principles. de·com·po·si·tion n. 1. of molecule or illegal conformation con·for·ma·tion n. One of the spatial arrangements of atoms in a molecule that can come about through free rotation of the atoms about a single chemical bond. during the calculation. 3. Supporting de-facto standard MD program with an integrated operation environment Supports AMBER: de-facto standard molecular dynamics simulation program and provides its post-processing tool (sold separately). This tool enables users to execute programs on the MD Server from a client PC, and shows the results on the graphic display. In addition, its dedicated library function empowers the user's original molecular dynamics programs. 4. Reliable support system All the MD Server-related developments including standard programs such as AMBER, a dedicated board and a library, are conducted by NEC. Worldwide support system and more than 400 of maintenance centers domestically, which is the largest number in the industry, are available to support users. They also provide technical support in applying the MD Server to users' original molecular dynamic programs. The new product's hardware price starts at 3,400,000yen(tax exclusive) for the smallest configuration, and the shipping starts on November 30, 2005. NEC expects 1,500 system sales System sales is a business term used in the franchising industry. Franchisors provide supplies, marketing and administration services to franchisees in return for a part of the franchisees' revenues. Some franchisors also operate some outlets directly. in next three years. Post-genome research such as determining structure of protein and unraveling reaction mechanism is cast a spotlight on, after the completion of decoding of the human genome The human genome is the genome of Homo sapiens, which is composed of 24 distinct pairs of chromosomes (22 autosomal + X + Y) with a total of approximately 3 billion DNA base pairs containing an estimated 20,000–25,000 genes. . Especially. developing new drugs that affects target protein is strongly promoted by pharmaceutical industry. This development has been done by experimental method through a trial and error process. However, to reduce a period and cost, many industries try to introduce in silico drug discovery system. NEC has been committed to the research and development in high-precision, high-speed simulation technologies related to interactions between protein and other chemical compounds, and believes in realizing the practical in silico drug discovery system (*4). The new MD Server will realize the long-time challenges, reduced time and higher precision of computation, and will further support the R&D activities in the area of biology. *1 Molecular dynamics: Computational technique to simulate a dynamic behavior of a molecule based on Newton's equation of motion which parameters are interactions between atoms in a molecule. *2 MD Engine is a registered trademark of NEC Corporation in Japan. *3 Condition: Amber, approximately 30,000 atoms, Free boundary, Non-cutoff *4 in silico drug discovery system: A computing system to efficiently supplement the conventional in vivo in vivo /in vi·vo/ (ve´vo) [L.] within the living body. in vi·vo adj. Within a living organism. in vivo adv. (in the living body) and in vitro in vitro /in vi·tro/ (in ve´tro) [L.] within a glass; observable in a test tube; in an artificial environment. in vi·tro adj. In an artificial environment outside a living organism. (in an artificial environment) studies. Based on 3D structures of polymer such as protein, it predicts the way of bonding (docking mode) and degree of attractive forces (affinity) between protein and prospective drug chemical compounds. About NEC Corporation NEC Corporation (TSE See Tokyo Stock Exchange. TSE 1. See Tokyo Stock Exchange (TSE). 2. See Toronto Stock Exchange (TSE). : 6701)(NASDAQ NASDAQ in full National Association of Securities Dealers Automated Quotations U.S. market for over-the-counter securities. Established in 1971 by the National Association of Securities Dealers (NASD), NASDAQ is an automated quotation system that reports on : NIPNY)(UK: NEC.IL) is one of the world's leading providers of Internet, broadband network, and enterprise business solutions dedicated to meeting the specialized needs of its diverse and global base of customers. Ranked as one of the world's top patent-producing companies, NEC delivers tailored solutions in the key fields of computers, networking, and electron devices by integrating its technical strengths in IT and networks and by providing advanced semiconductor solutions through NEC Electronics Corporation. The NEC Group employs more than 140,000 people worldwide and had net sales Net Sales The amount a seller receives from the buyer after costs associated with the sale are deducted. Notes: This amount is calculated by subtracting the following items from gross sales: merchandise returned for credit, allowances for damaged or missing goods, freight of 4,855 billion yen (approx. $45.4 billion) in the fiscal year that ended in March 2005. For additional information, please visit the NEC website at: http://www.nec.com Source: NEC Corporation Contact: HPC Marketing Promotion Division Tel: +81 (0)3 3798 9131 Email: info@hpc.jp.nec.com Takehiko Kato NEC Corporation, Public Relations Division Tel: +81 (0)3 3798 6511 Fax: +81 (0)3 3457 7249 Email: t-kato@cj.jp.nec.com Copyright [c] 2005 JCN Newswire. All rights reserved. A division of Japan Corporate News Network K.K. |
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