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D. E. Shaw Research
D. E. Shaw Research (DESRES) is a privately held biochemistry research company based in New York City. Under the scientific direction of David E. Shaw, the group's chief scientist, D. E. Shaw Research develops technologies for molecular dynamics simulations (including Anton (computer), Anton, a massively parallel special-purpose supercomputer, and Desmond (software), Desmond, a software package for use on conventional computers and computer clusters) and applies such simulations to basic scientific research in structural biology and biochemistry, and to the process of computer-aided drug design. This interdisciplinary laboratory is composed of members with backgrounds in chemistry, biology, hardware engineering and design, computer science, or applied mathematics. In addition to its main New York facility, D. E. Shaw Research has offices in Durham, North Carolina and Hyderabad, India. References External linksD. E. Shaw Research [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Privately Held Company
A privately held company (or simply a private company) is a company whose shares and related rights or obligations are not offered for public subscription or publicly negotiated in the respective listed markets, but rather the company's stock is offered, owned, traded, exchanged privately, or Over-the-counter (finance), over-the-counter. In the case of a closed corporation, there are a relatively small number of shareholders or company members. Related terms are closely-held corporation, unquoted company, and unlisted company. Though less visible than their public company, publicly traded counterparts, private companies have major importance in the world's economy. In 2008, the 441 list of largest private non-governmental companies by revenue, largest private companies in the United States accounted for ($1.8 trillion) in revenues and employed 6.2 million people, according to ''Forbes''. In 2005, using a substantially smaller pool size (22.7%) for comparison, the 339 companies on ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
David E
David (; , "beloved one") (traditional spelling), , ''Dāwūd''; grc-koi, Δαυΐδ, Dauíd; la, Davidus, David; gez , ዳዊት, ''Dawit''; xcl, Դաւիթ, ''Dawitʿ''; cu, Давíдъ, ''Davidŭ''; possibly meaning "beloved one". was, according to the Hebrew Bible, the Kings of Israel and Judah, third king of the Kingdom of Israel (united monarchy), United Kingdom of Israel. In the Books of Samuel, he is described as a young shepherd and Lyre, harpist who gains fame by slaying Goliath, a champion of the Philistines, in southern Canaan. David becomes a favourite of Saul, the first king of Israel; he also forges David and Jonathan, a notably close friendship with Jonathan (1 Samuel), Jonathan, a son of Saul. However, under the paranoia that David is seeking to usurp the throne, Saul attempts to kill David, forcing the latter to go into hiding and effectively operate as a fugitive for several years. After Saul and Jonathan are both killed in battle against the Philistin ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Desmond (software)
Desmond is a software package developed at D. E. Shaw Research to perform high-speed molecular dynamics simulations of biological systems on conventional computer clusters. The code uses novel parallel algorithms and numerical methods to achieve high performance on platforms containing multiple processors, but may also be executed on a single computer. The core and source code are available at no cost for non-commercial use by universities and other not-for-profit research institutions, and have been used in the Folding@home distributed computing project. Desmond is available as commercial software through Schrödinger, Inc. Molecular dynamics program Desmond supports algorithms typically used to perform fast and accurate molecular dynamics. Long-range electrostatic energy and forces can be calculated using particle mesh Ewald-based methods. Constraints can be enforced using the M-SHAKE algorithm. These methods can be used together with time-scale splitting (RESPA-based) inte ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Anton (computer)
Anton is a massively parallel supercomputer designed and built by D. E. Shaw Research in New York, first running in 2008. It is a special-purpose system for molecular dynamics (MD) simulations of proteins and other biological macromolecules. An Anton machine consists of a substantial number of application-specific integrated circuits (ASICs), interconnected by a specialized high-speed, three-dimensional torus network. Unlike earlier special-purpose systems for MD simulations, such as MDGRAPE-3 developed by RIKEN in Japan, Anton runs its computations entirely on specialized ASICs, instead of dividing the computation between specialized ASICs and general-purpose host processors. Each Anton ASIC contains two computational subsystems. Most of the calculation of electrostatic and van der Waals forces is performed by the high-throughput interaction subsystem (HTIS). This subsystem contains 32 deeply pipelined modules running at 800 MHz arranged much like a systolic arr ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
New York City
New York, often called New York City or NYC, is the List of United States cities by population, most populous city in the United States. With a 2020 population of 8,804,190 distributed over , New York City is also the List of United States cities by population density, most densely populated major city in the United States, and is more than twice as populous as second-place Los Angeles. New York City lies at the southern tip of New York (state), New York State, and constitutes the geographical and demographic center of both the Northeast megalopolis and the New York metropolitan area, the largest metropolitan area in the world by urban area, urban landmass. With over 20.1 million people in its metropolitan statistical area and 23.5 million in its combined statistical area as of 2020, New York is one of the world's most populous Megacity, megacities, and over 58 million people live within of the city. New York City is a global city, global Culture of New ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Dynamics
Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields. The method is applied mostly in chemical physics, materials science, and biophysics. Because molecular systems typically consist of a vast number of particles, it is impossible to determine the properties of such complex systems analytically; MD simulation circumvents this problem by using numerical methods. However, long MD simulations are mathematically ill-conditioned, generating cumulative errors in ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Association For Computing Machinery
The Association for Computing Machinery (ACM) is a US-based international learned society for computing. It was founded in 1947 and is the world's largest scientific and educational computing society. The ACM is a non-profit professional membership group, claiming nearly 110,000 student and professional members . Its headquarters are in New York City. The ACM is an umbrella organization for academic and scholarly interests in computer science ( informatics). Its motto is "Advancing Computing as a Science & Profession". History In 1947, a notice was sent to various people: On January 10, 1947, at the Symposium on Large-Scale Digital Calculating Machinery at the Harvard computation Laboratory, Professor Samuel H. Caldwell of Massachusetts Institute of Technology spoke of the need for an association of those interested in computing machinery, and of the need for communication between them. ..After making some inquiries during May and June, we believe there is ample interest to ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Computer Cluster
A computer cluster is a set of computers that work together so that they can be viewed as a single system. Unlike grid computers, computer clusters have each node set to perform the same task, controlled and scheduled by software. The components of a cluster are usually connected to each other through fast local area networks, with each node (computer used as a server) running its own instance of an operating system. In most circumstances, all of the nodes use the same hardware and the same operating system, although in some setups (e.g. using Open Source Cluster Application Resources (OSCAR)), different operating systems can be used on each computer, or different hardware. Clusters are usually deployed to improve performance and availability over that of a single computer, while typically being much more cost-effective than single computers of comparable speed or availability. Computer clusters emerged as a result of convergence of a number of computing trends including t ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Durham, North Carolina
Durham ( ) is a city in the U.S. state of North Carolina and the county seat of Durham County, North Carolina, Durham County. Small portions of the city limits extend into Orange County, North Carolina, Orange County and Wake County, North Carolina, Wake County. With a population of 283,506 in the 2020 United States Census, 2020 Census, Durham is the List of municipalities in North Carolina, 4th-most populous city in North Carolina, and the List of United States cities by population, 74th-most populous city in the United States. The city is located in the east-central part of the Piedmont (United States), Piedmont region along the Eno River. Durham is the core of the four-county Research Triangle#Office of Management and Budget Definition, Durham-Chapel Hill Metropolitan Area, which has a population of 649,903 as of 2020 U.S. Census. The Office of Management and Budget also includes Durham as a part of the Raleigh, North Carolina, Raleigh-Durham-Cary Combined Statistical Area, com ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Hyderabad, India
Hyderabad ( ; , ) is the capital and largest city of the Indian state of Telangana and the '' de jure'' capital of Andhra Pradesh. It occupies on the Deccan Plateau along the banks of the Musi River, in the northern part of Southern India. With an average altitude of , much of Hyderabad is situated on hilly terrain around artificial lakes, including the Hussain Sagar lake, predating the city's founding, in the north of the city centre. According to the 2011 Census of India, Hyderabad is the fourth-most populous city in India with a population of residents within the city limits, and has a population of residents in the metropolitan region, making it the sixth-most populous metropolitan area in India. With an output of 74 billion, Hyderabad has the fifth-largest urban economy in India. Muhammad Quli Qutb Shah established Hyderabad in 1591 to extend the capital beyond the fortified Golconda. In 1687, the city was annexed by the Mughals. In 1724, Asaf Jah I, th ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Dynamics
Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields. The method is applied mostly in chemical physics, materials science, and biophysics. Because molecular systems typically consist of a vast number of particles, it is impossible to determine the properties of such complex systems analytically; MD simulation circumvents this problem by using numerical methods. However, long MD simulations are mathematically ill-conditioned, generating cumulative errors in ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
