William L. Jorgensen
Encyclopedia
William L. Jorgensen 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 model
s, the OPLS
force field, and his work on free-energy perturbation theory for modeling reactions in solution; he has over 300 publications in the field. Jorgensen currently holds the position of editor of the Journal of Chemical Information and Modeling
and the Journal of Chemical Theory and Computation
, and was formerly the editor of the Journal of Computational Chemistry
and one of the editors of the Encyclopedia of Computational Chemistry. He holds positions on the editorial advisory boards of several other journals, has been involved in the founding of multiple biotechnology companies. Jorgensen also develops and sells software to pharmaceutical companies, biotechnology companies, and academic researchers for drug design and other research applications.
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 1975-1990 first as an Assistant Professor and then later as a Professor. He joined the Yale faculty in 1990 and has remained there since. Prof. Jorgensen has received numerous awards, including the 2004 Sato Memorial International Award from the Pharmaceutical Society of Japan, the 2004 Award in Computational Biology from the Intl. Society for Quantum Biology & Pharmacology, the ACS Award for Computers in Chemical and Pharmaceutical Research, the 1990 ACS Arthur C. Cope Scholar Award, and the 1986 Annual Medal of the International Academy of Quantum Molecular Sciences. He was elected to the American Academy of Arts and Sciences
in 2007. In 2009 he was named Sterling Professor
--Yale's highest academic rank. In 2010 he was elected to the International Academy of Quantum Molecular Science
. In 2011 Jorgensen was elected to the National Academy of Sciences
.
of reactions using quantum mechanics
, molecular mechanics
, and Metropolis Monte Carlo methods, with application to the calculation of protein-ligand binding affinities, which have pharmaceutical applications. Most generally, the research goals include the development of theoretical and computational methods in an attempt to gain a deeper understanding of the structure and reactivity for organic and biomolecular systems. Another relevant research topic of his is in the development of improved NNRTI's, which are used for the treatment of HIV
.
Sterling Professor
A Sterling Professorship is the highest academic rank at Yale University, awarded to a tenured faculty member considered one of the best in his or her field...
of Chemistry at Yale University
Yale University
Yale University is a private, Ivy League university located in New Haven, Connecticut, United States. Founded in 1701 in the Colony of Connecticut, the university is the third-oldest institution of higher education in the United States...
. He is considered a pioneer in the field of computational chemistry
Computational chemistry
Computational chemistry is a branch of chemistry that uses principles of computer science to assist in solving chemical problems. It uses the results of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids...
. Some of his contributions include the TIP3P, TIP4P, and TIP5P water model
Water model
In computational chemistry, classical water models are used for the simulation of water clusters, liquid water, and aqueous solutions with explicit solvent. These models use the approximations of molecular mechanics...
s, the OPLS
OPLS
The OPLS force field was developed by Prof. William L. Jorgensen at Purdue University and later at Yale University.-Functional form:The functional form of the OPLS force field is very similar to that of AMBER:...
force field, and his work on free-energy perturbation theory for modeling reactions in solution; he has over 300 publications in the field. Jorgensen currently holds the position of editor of the Journal of Chemical Information and Modeling
Journal of Chemical Information and Modeling
The Journal of Chemical Information and Modeling , is a peer-reviewed scientific journal, published since 1961 by the American Chemical Society...
and the Journal of Chemical Theory and Computation
Journal of Chemical Theory and Computation
The Journal of Chemical Theory and Computation is a peer-reviewed scientific journal, published since 2005 by the American Chemical Society. It is indexed in Chemical Abstracts Service , Scopus, British Library, and Web of Science. The current editors are William L. Jorgensen and Gustavo E...
, and was formerly the editor of the Journal of Computational Chemistry
Journal of Computational Chemistry
The Journal of Computational Chemistry is a peer-reviewed scientific journal published since 1980 by John Wiley & Sons. It covers research, contemporary developments in theory and methodology, and applications in all areas of computational chemistry, including ab initio quantum chemistry methods...
and one of the editors of the Encyclopedia of Computational Chemistry. He holds positions on the editorial advisory boards of several other journals, has been involved in the founding of multiple biotechnology companies. Jorgensen also develops and sells software to pharmaceutical companies, biotechnology companies, and academic researchers for drug design and other research applications.
Background and achievements
Jorgensen earned a Bachelor's degree from Princeton UniversityPrinceton University
Princeton University is a private research university located in Princeton, New Jersey, United States. The school is one of the eight universities of the Ivy League, and is one of the nine Colonial Colleges founded before the American Revolution....
in 1970 and a Ph.D. from Harvard University
Harvard University
Harvard University is a private Ivy League university located in Cambridge, Massachusetts, United States, established in 1636 by the Massachusetts legislature. Harvard is the oldest institution of higher learning in the United States and the first corporation chartered in the country...
in 1975 in Chemical Physics while studying under Elias J. Corey. Jorgensen then worked at Purdue University
Purdue University
Purdue University, located in West Lafayette, Indiana, U.S., is the flagship university of the six-campus Purdue University system. Purdue was founded on May 6, 1869, as a land-grant university when the Indiana General Assembly, taking advantage of the Morrill Act, accepted a donation of land and...
from 1975-1990 first as an Assistant Professor and then later as a Professor. He joined the Yale faculty in 1990 and has remained there since. Prof. Jorgensen has received numerous awards, including the 2004 Sato Memorial International Award from the Pharmaceutical Society of Japan, the 2004 Award in Computational Biology from the Intl. Society for Quantum Biology & Pharmacology, the ACS Award for Computers in Chemical and Pharmaceutical Research, the 1990 ACS Arthur C. Cope Scholar Award, and the 1986 Annual Medal of the International Academy of Quantum Molecular Sciences. He was elected to the American Academy of Arts and Sciences
American Academy of Arts and Sciences
The American Academy of Arts and Sciences is an independent policy research center that conducts multidisciplinary studies of complex and emerging problems. The Academy’s elected members are leaders in the academic disciplines, the arts, business, and public affairs.James Bowdoin, John Adams, and...
in 2007. In 2009 he was named Sterling Professor
Sterling Professor
A Sterling Professorship is the highest academic rank at Yale University, awarded to a tenured faculty member considered one of the best in his or her field...
--Yale's highest academic rank. In 2010 he was elected to the International Academy of Quantum Molecular Science
International Academy of Quantum Molecular Science
The International Academy of Quantum Molecular Science is an international scientific learned society covering all applications of quantum theory to chemistry and chemical physics. It was created in Menton in 1967. The founding members were Raymond Daudel, Per-Olov Löwdin, Robert G. Parr, John...
. In 2011 Jorgensen was elected to the National Academy of Sciences
United States National Academy of Sciences
The National Academy of Sciences is a corporation in the United States whose members serve pro bono as "advisers to the nation on science, engineering, and medicine." As a national academy, new members of the organization are elected annually by current members, based on their distinguished and...
.
Research interests
Jorgensen's research interests are broad and include the calculation of free energyThermodynamic free energy
The thermodynamic free energy is the amount of work that a thermodynamic system can perform. The concept is useful in the thermodynamics of chemical or thermal processes in engineering and science. The free energy is the internal energy of a system less the amount of energy that cannot be used to...
of reactions using quantum mechanics
Quantum mechanics
Quantum mechanics, also known as quantum physics or quantum theory, is a branch of physics providing a mathematical description of much of the dual particle-like and wave-like behavior and interactions of energy and matter. It departs from classical mechanics primarily at the atomic and subatomic...
, molecular mechanics
Molecular mechanics
Molecular mechanics uses Newtonian mechanics to model molecular systems. The potential energy of all systems in molecular mechanics is calculated using force fields...
, and Metropolis Monte Carlo methods, with application to the calculation of protein-ligand binding affinities, which have pharmaceutical applications. Most generally, the research goals include the development of theoretical and computational methods in an attempt to gain a deeper understanding of the structure and reactivity for organic and biomolecular systems. Another relevant research topic of his is in the development of improved NNRTI's, which are used for the treatment of HIV
HIV
Human immunodeficiency virus is a lentivirus that causes acquired immunodeficiency syndrome , a condition in humans in which progressive failure of the immune system allows life-threatening opportunistic infections and cancers to thrive...
.
External links
- http://zarbi.chem.yale.edu/index.html
- http://zarbi.chem.yale.edu/~bill/vita.html
- http://www.rib-x.com/corporate_overview/sab/jorgensen.shtml
- http://www.chem.yale.edu/faculty/jorgensen.html
- http://pubs.acs.org/journals/jcisd8/profiles.html