William Jorgensen


William Jorgensen

Computational Chemistry


Professor Jorgensen is the Sterling Professor of Chemistry at Yale University, New Haven, Connecticut, USA, and editor of the Journal of Chemical Theory and Computation. He has combined quantum, statistical and molecular mechanics to model chemistry in solution, including organic and enzymatic reactions and protein-ligand binding. His optimised potential for liquid simulations (OPLS) force fields and TIPnP water models are widely used. His research group is also actively engaged in de novo drug design and synthesis, particularly for anti-infective, anti-cancer and anti-inflammatory agents. Free-energy perturbation calculations are at the heart of the group’s abilities for efficient lead optimisation. Among other achievements, he is a member of the International Academy of Quantum Molecular Science, the American Academy of Arts and Sciences and United States National Academy of Sciences. He received the Tetrahedron Prize for Creativity in Organic Chemistry in 2015.


TITLE: Computer-aided design of potent inhibitors of HIV-1 reverse transcriptase and CXCR4
DATE: 30 August 2016
TIME: 8:30

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