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SUMMARY:Understanding Stacking Interactions Involving Aromatic Rings
LOCATION:Chemistry A101
TZID:America/Denver
DTSTART:20181001T000000
UID:2026-04-28-23-04-15@natsci.colostate.edu
DTSTAMP:20260428T230415
Description:About the Seminar:\n\nStacking interactions are ubiquitous in c
 hemical and biological systems\, impacting everything from the packing of 
 organic electronic materials and the stereoselectivity of organic reaction
 s to the binding of drugs. While attractive interactions between aromatic 
 rings (so called \\'pi-stacking\\' or \\'pi-pi\\' interactions) have been 
 known for decades\, only recently have we begun to understand the many fac
 tors that control the strength and geometry of these interactions. I will 
 provide an overview of our efforts to understand stacking interactions bet
 ween aromatic rings as well as less conventional stacking interactions bet
 ween heterocycles and protein amide backbones and Asp-Arg salt-bridges. Ul
 timately\, I\\'ll introduce a a robust predictive model of the strength of
  stacking interactions between heterocyclic drug fragments and the aromati
 c amino acid side chains Phe\, Tyr\, and Trp. Along the way\, I\\'ll show 
 that molecular electric fields provide a powerful tool for understanding s
 tacking interactions and dispel pervasive myths about heteroatom and subst
 ituent-induced changes in electrostatic potentials of aromatic systems.\n\
 n&nbsp\;\n\nAbout the Speaker:\n\nSteven graduated from New College of Flo
 rida in 2002 with a B.A. in Chemistry and Physics and completed his Ph.D. 
 working with Fritz Schaefer at the University of Georgia in 2006. He was a
 n NIH Postdoctoral Fellow in Ken Houl\\'s group at UCLA before joining the
  faculty at Texas A&amp\;M in 2010. He was promoted to Associate Professor
  with tenure in 2015 and named Davidson Professor of Science in 2016. He m
 oved to his present position at the Center for Computational Quantum Chemi
 stry at the University of Georgia in January\, 2017. His research group wo
 rks in the area of computational physical organic chemistry studying the r
 ole of noncovalent interactions in organocatalysis\, organic electronic ma
 terials\, and drug design using modern tools of computational chemistry.12
 :00 pm
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