William L. Jorgensen | |
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| Born | (1949-10-05)October 5, 1949 (age 75) |
| Alma mater | Princeton University,Harvard University |
| Known for | OPLS force field, TIPnP, FEP |
| Scientific career | |
| Fields | Computational Chemistry |
| Institutions | Yale University |
| Doctoral advisor | Elias J. Corey |
William L. Jorgensen (born October 5, 1949, inNew York) is aSterling Professor of Chemistry atYale University.[1] He is known for his work in the field ofcomputational chemistry. Some of his contributions include the TIP3P, TIP4P, and TIP5Pwater models, theOPLS force field, free-energy perturbation theory for modelling reactions in solution, protein-ligand binding, and drug design.[2] Jorgensen served as the Editor of the ACSJournal of Chemical Theory and Computation from its founding in 2005 until 2022.[3]
Jorgensen earned a bachelor's degree fromPrinceton University in 1970 and a PhD fromHarvard University in 1975 in Chemical Physics while studying underElias J. Corey.[4] Jorgensen then worked atPurdue 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 research interests include the calculation offree energy of reactions usingquantum mechanics,molecular mechanics, andMetropolis Monte Carlo methods. These methods have application to the calculation of protein-ligand binding affinities. Generally, the research goals involve developing theoretical and computational methods to contribute to the understanding of the structure and reactivity of organic and biomolecular systems. His research group has also pursuedde novo drug design, synthesis, and protein crystallography. This drug design being particularly based towards anti-infective, anti-proliferative, and anti-inflammatory agents. Jorgensen was an early contributor to the use of free-energy perturbation calculations for applications several applications including efficient drug lead optimization.[5][6] Using these methods, he developed improvedNNRTIs forHIV treatment. In 2020, Jorgensen's group discovered inhibitors of the main protease of theSARS-CoV-2 virus.[7]
Jorgensen's work has been recognized by many awards including election to the American Academy of Arts and Sciences, the National Academy of Sciences, and the International Academy of Quantum and Molecular Sciences. He has also received the ACS Award for Computers in Chemical and Pharmaceutical Research, the ACS Hildebrand Award, theTetrahedron Prize, andArthur C. Cope Award.[8]
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