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William L. Jorgensen
William L. Jorgensen (born October 5, 1949, New York) is a Sterling Professor of Chemistry at Yale University. He is considered a pioneer in the field of computational chemistry. Some of his contributions include the TIP3P, TIP4P, and TIP5P water models, the OPLS force field, and his work on free-energy perturbation theory for modeling reactions in solution, protein-ligand binding, and drug design; he has over 400 publications in the field. Jorgensen has been the Editor of the ACS Journal of Chemical Theory and Computation since its founding in 2005. Background and achievements Jorgensen earned a bachelor's degree from Princeton University in 1970 and a Ph.D. from Harvard University in 1975 in Chemical Physics while studying under Elias J. Corey. Jorgensen then worked at Purdue University from 1975 to 1990 first as an assistant professor and then later as a Professor. He joined the Yale faculty in 1990 and has remained there since. Jorgensen's work has been recognized by many ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Computational Chemistry
Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form. While computational results normally complement the information obtained by chemical experiments, it can in some cases predict hitherto unobserved chemical phenomena. It is widely used in the design of new drugs and materials. Examples of such properties are structure (i.e., the expected positions of the constituent atoms), absolute and relative (interaction) energies, electronic charge density distributions, dipoles and higher multipole moments, vi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Mechanics
Molecular mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy of all systems is calculated as a function of the nuclear coordinates using force fields. Molecular mechanics can be used to study molecule systems ranging in size and complexity from small to large biological systems or material assemblies with many thousands to millions of atoms. All-atomistic molecular mechanics methods have the following properties: * Each atom is simulated as one particle * Each particle is assigned a radius (typically the van der Waals radius), polarizability, and a constant net charge (generally derived from quantum calculations and/or experiment) * Bonded interactions are treated as ''springs'' with an equilibrium distance equal to the experimental or calculated bond length Variants on this theme are possible. For example, many simulations have historically used a ''united-atom'' representation in which ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Yale Sterling Professors
Yale University is a private research university in New Haven, Connecticut. Established in 1701 as the Collegiate School, it is the third-oldest institution of higher education in the United States and among the most prestigious in the world. It is a member of the Ivy League. Chartered by the Connecticut Colony, the Collegiate School was established in 1701 by clergy to educate Congregational ministers before moving to New Haven in 1716. Originally restricted to theology and sacred languages, the curriculum began to incorporate humanities and sciences by the time of the American Revolution. In the 19th century, the college expanded into graduate and professional instruction, awarding the first PhD in the United States in 1861 and organizing as a university in 1887. Yale's faculty and student populations grew after 1890 with rapid expansion of the physical campus and scientific research. Yale is organized into fourteen constituent schools: the original undergraduate colleg ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Princeton University Alumni
Princeton University is a private research university in Princeton, New Jersey. Founded in 1746 in Elizabeth as the College of New Jersey, Princeton is the fourth-oldest institution of higher education in the United States and one of the nine colonial colleges chartered before the American Revolution. It is one of the highest-ranked universities in the world. The institution moved to Newark in 1747, and then to the current site nine years later. It officially became a university in 1896 and was subsequently renamed Princeton University. It is a member of the Ivy League. The university is governed by the Trustees of Princeton University and has an endowment of $37.7 billion, the largest endowment per student in the United States. Princeton provides undergraduate and graduate instruction in the humanities, social sciences, natural sciences, and engineering to approximately 8,500 students on its main campus. It offers postgraduate degrees through the Princeton School of Publi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Harvard University Alumni
The list of Harvard University people includes notable graduates, professors, and administrators affiliated with Harvard University. For a list of notable non-graduates of Harvard, see notable non-graduate alumni of Harvard. For a list of Harvard's presidents, see President of Harvard University. Eight President of the United States, Presidents of the United States have graduated from Harvard University: John Adams, John Quincy Adams, Rutherford B. Hayes, John F. Kennedy, Franklin Delano Roosevelt, Theodore Roosevelt, George W. Bush, and Barack Obama. Bush graduated from Harvard Business School, Hayes and Obama from Harvard Law School, and the others from Harvard College. Over 150 Nobel Prize winners have been associated with the university as alumni, researchers or faculty. Nobel laureates Pulitzer Prize winners ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Yale University Faculty
Yale University is a private research university in New Haven, Connecticut. Established in 1701 as the Collegiate School, it is the third-oldest institution of higher education in the United States and among the most prestigious in the world. It is a member of the Ivy League. Chartered by the Connecticut Colony, the Collegiate School was established in 1701 by clergy to educate Congregational ministers before moving to New Haven in 1716. Originally restricted to theology and sacred languages, the curriculum began to incorporate humanities and sciences by the time of the American Revolution. In the 19th century, the college expanded into graduate and professional instruction, awarding the first PhD in the United States in 1861 and organizing as a university in 1887. Yale's faculty and student populations grew after 1890 with rapid expansion of the physical campus and scientific research. Yale is organized into fourteen constituent schools: the original undergraduate col ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
1949 Births
Events January * January 1 – A United Nations-sponsored ceasefire brings an end to the Indo-Pakistani War of 1947. The war results in a stalemate and the division of Kashmir, which still continues as of 2022. * January 2 – Luis Muñoz Marín becomes the first democratically elected Governor of Puerto Rico. * January 11 – The first "networked" television broadcasts take place, as KDKA-TV in Pittsburgh, Pennsylvania goes on the air, connecting east coast and mid-west programming in the United States. * January 16 – Şemsettin Günaltay forms the new government of Turkey. It is the 18th government, last One-party state, single party government of the Republican People's Party. * January 17 – The first Volkswagen Beetle, VW Type 1 to arrive in the United States, a 1948 model, is brought to New York City, New York by Dutch businessman Ben Pon Sr., Ben Pon. Unable to interest dealers or importers in the Volkswagen, Pon sells the sample car to pay his ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Living People
Related categories * :Year of birth missing (living people) / :Year of birth unknown * :Date of birth missing (living people) / :Date of birth unknown * :Place of birth missing (living people) / :Place of birth unknown * :Year of death missing / :Year of death unknown * :Date of death missing / :Date of death unknown * :Place of death missing / :Place of death unknown * :Missing middle or first names See also * :Dead people * :Template:L, which generates this category or death years, and birth year and sort keys. : {{DEFAULTSORT:Living people 21st-century people People by status ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
21st-century American Chemists
The 1st century was the century spanning AD 1 ( I) through AD 100 ( C) according to the Julian calendar. It is often written as the or to distinguish it from the 1st century BC (or BCE) which preceded it. The 1st century is considered part of the Classical era, epoch, or historical period. The 1st century also saw the appearance of Christianity. During this period, Europe, North Africa and the Near East fell under increasing domination by the Roman Empire, which continued expanding, most notably conquering Britain under the emperor Claudius ( AD 43). The reforms introduced by Augustus during his long reign stabilized the empire after the turmoil of the previous century's civil wars. Later in the century the Julio-Claudian dynasty, which had been founded by Augustus, came to an end with the suicide of Nero in AD 68. There followed the famous Year of Four Emperors, a brief period of civil war and instability, which was finally brought to an end by Vespasian, ninth Roman em ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
BOSS (molecular Mechanics)
Boss may refer to: Occupations * Supervisor, often referred to as boss * Air boss, more formally, air officer, the person in charge of aircraft operations on an aircraft carrier * Crime boss, the head of a criminal organization * Fire boss, a person in charge of mine safety * Pit boss, the person who looks after the employees who work in a casino pit * Political boss, a person who controls a political region or constituency Places United States * Boss, Missouri, an unincorporated community * Boss, Texas, an unincorporated community * Bosstown, Wisconsin, an unincorporated community Moon * Boss (crater), a lunar crater People As a real name *Boss (surname) *Boss Mustapha, politician, Secretary of Nigerian government As a nickname or stage name Athletes * Lance Armstrong ("", born 1971), former professional cyclist * Sasha Banks (born 1992), American professional wrestler * Tomás Boy ("", born 1952), former Mexican professional football player and current coach * Bobby ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
NNRTI
Reverse-transcriptase inhibitors (RTIs) are a class of antiretroviral drugs used to treat HIV infection or AIDS, and in some cases hepatitis B. RTIs inhibit activity of reverse transcriptase, a viral DNA polymerase that is required for replication of HIV and other retroviruses. Mechanism of action When HIV infects a cell, reverse transcriptase copies the viral single stranded RNA genome into a double-stranded viral DNA. The viral DNA is then integrated into the host chromosomal DNA, which then allows host cellular processes, such as transcription and translation, to reproduce the virus. RTIs block reverse transcriptase's enzymatic function and prevent completion of synthesis of the double-stranded viral DNA, thus preventing HIV from multiplying. A similar process occurs with other types of viruses. The hepatitis B virus, for example, carries its genetic material in the form of DNA, and employs an RNA-dependent DNA polymerase to replicate. Some of the same compounds used as RTIs c ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Metropolis Monte Carlo
A metropolis () is a large city or conurbation which is a significant economic, political, and cultural center for a country or region, and an important hub for regional or international connections, commerce, and communications. A big city belonging to a larger urban agglomeration, but which is not the core of that agglomeration, is not generally considered a metropolis but a part of it. The plural of the word is ''metropolises'', although the Latin plural is ''metropoles'', from the Greek ''metropoleis'' (). For urban centers outside metropolitan areas that generate a similar attraction on a smaller scale for their region, the concept of the regiopolis ("regio" for short) was introduced by urban and regional planning researchers in Germany in 2006. Etymology Metropolis (μητρόπολις) is a Greek word, coming from μήτηρ, ''mḗtēr'' meaning "mother" and πόλις, ''pólis'' meaning "city" or "town", which is how the Greek colonies of antiquity referred to ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
