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2011 Mesilla Chemistry Workshop

February 5-9, 2011

"Aromatic Interactions in Chemistry and Biology"

Organizers:

Marcey Waters, Department of Chemistry, University of North Carolina, Chapel Hill

Ken Houk, Department of Chemistry and Biochemistry, University of California, Los Angeles

Bill Hase, Department of Chemistry and Biochemistry, Texas Tech University, Lubbock

Meeting Site:

Mesilla Community Center, 2251 Calle de Santiago, Mesilla, New Mexico 

Website:

hase-group.ttu.edu/mesilla/ 

Support:

New Mexico State University

Texas Tech University

The Robert Welch Foundation

Schedule:

Saturday
6:30pm Reception/Dinner

Sunday Morning
Session Chair: Ken Houk

8:30 Houk/Waters

Welcome

8:45 Bill Hase

Introduction

9:00 Christopher Hunter

Aromatic Interactions in the Nucleus

9:30 David Sherrill

Quantum Analysis of Intermolecular Forces in pi-interactions

10:00 Coffee

10:20 Franco Cozzi

The Interaction of Pyridene, Thiophene, and Furan with Aromatic and Fluoroaromatic Systems in (3,3)meta(heterocyclo)-paracyclophanes

10:50 Ken Houk

Aryl-Aryl Interactions as Control Elements in Stereoselective Reactions

11:20 Stefan Grimme

Accurate DFT Methods for Non-covalent Interactions

11:50 Discussion

Noon-7pm Lunch/Break/Dinner
No Evening Session (Superbowl:4-8pm)

Monday Morning
Session Chair: Chris Hunter

9:00 Kim Baldridge

Aromatic-Metal Interactions

9:30 Gregory Petsko

TBA

10:00 Coffee

10:20 Jianmin Gao

Energetic Contribution of Fluoridated Aromatics to Protein Stability

10:50 Bill Jorgensen

Aromatic Interactions in Drug Design

11:20 Dagmar Ringe

Quest for the Ring: Locating Aromatic Binding Sites in Proteins

Noon-7pm Lunch/Break/Dinner

Monday Evening
Session Chair: Bill Jorgensen

7pm Neal Zondlo

TBA

7:30 Mike Gagne

C-H-pi Driven Self-assembly of Catenated Macrocyclic Oligopeptides

8:00 Ken Shimizu

A Versatile Small Molecule Model System for the Study of Aromatic Interactions

8:30 Craig Wilcox

Recent Experiments with New Molecular Torsion Balances

Tuesday Morning
Session Chair: Arthur Cammers

8:30 Pablo Ballester

Experimental Quantification of Weak Intermolecular Interactions Using Model Systems Based on Aryl Extended Calix[4]pyrroles

9:00 Kim Dunbar

Anion Interactions with Aromatic Molecules and pi-Systems

9:30 Christoph Schalley

Resorcinarenes, Cucurbiturils, and NDIs: From Cation-pi to Anion-pi Interactions

10:00 Coffee

10:20 Chad Tatko

Aromatic Networks: Change is Contagious

10:50 Steven Wheeler

Substituent Effects in Non-Covalent Interactions

11:20 Arthur Cammers

Synergy between Electrostatics and pi-Face Interactions

11:50 Discussion

Noon-7pm Lunch/Break/Dinner

Tuesday Evening
Session Chair: Kim Dunbar

7pm Fraser Hof

Cation-pi Motifs at Protein Interaction Interfaces

7:30 Dean Tantillo

Carbocation-pi Interactions in Terpene Biosynthesis

8:00 Adam Urbach

Molecular Recognition of Aromatic Peptides and Proteins

8:30 Marcey Waters

Aromatic Interactions in Protein Structure and Function

Wednesday
Session Chair: Marcey Waters

8:30 Jay Siegel

TBA

9:00 Peter Pulay

Large-Scale Coupled Cluster Calculations of the Interaction Energy between Aromatic Systems using the PQS Code

9:30 Jeffrey Moore

The Molecular Design of Responsive Materials

10:00 Houk/Waters

Concluding Remarks