| Workshop on
Self Organizing Biomolecules: The Evolving Picture AGENDA |
| Sunday Jan. 13 | |
| 18:00-20:00 | Reception (Cash Bar)
|
| Monday Jan. 14 | |
| 8:30-9:00 | Opening Remarks: R. S. Berry & D. Pines |
| Membrane Proteins and Aggregation | |
| 9:00 - 9:45 | S. C. White "Folding Proteins into Membranes" |
| 9:45 - 10:30 | K. Schulten "Studying Water and Glycerol Transport in the Membrane Channel Protein Aquaglyceroporin" |
| Break | |
| 11:00 - 11:45 | S. Meredith "Peptide Backbone Modifications of Fibril-Forming Peptides: Structural Probes and a Strategy to Inhibit Fibrillogenesis" |
| 11:45 - 12:30 | Maria Luisa Tasayco "Can we learn about aggregation from studies of complementary protein fragments?" |
| Lunch (provided) | |
| 2:00- 2:45 | Ka Yee Lee "2D-3D Transition in Lung Surfactant" |
| 2:45 -3:30 | K. Fleming "Energetics of Transmembrane Helix-Helix Interactions" |
| Break | |
| 4:00- 4:45 | M. Stevens "Self Organization of DNA and other Charged Biomolecules" |
| 4:45- 5:30 | G. Hummer "Water in Hydrophobic Channels: from Carbon Nanotubes to Proteins" |
| 5:30- 6:00 | Discussion
|
| Tuesday, Jan 15 | Protein Dynamics and Folding |
| 8:30- 9:15 | C. L. Brooks "Protein folding: energetics and mechanism from molecular simulation" |
| 9:15-10:00 | K. Freed "Implicit Solvent Model for Long Time Peptide Dynamics and Protein Folding" |
| Break | |
| 10:30-11:15 | B. Berne "Dynamics of Water and Protein Solutions; |
| 11:15-12:00
12:00-12:30 |
L. R. Pratt "Water participates:
Quasi-chemical theory of aqueous solutions for biophysics"
Discussion |
| Lunch (provided) | |
| Protein Structure Prediction | |
| 2:00- 2:45 | J. Skolnick "Prediction of Protein Structure and Function on a Genomic Scale" |
| 2:45 -3:30 | A. Fernandez "Searching for an Ab Initio Solution to the Protein Folding Problem: What we need and what we might not need" |
| Break | |
| 4:00- 4:45 | R. Bonneau "Ab initio Protein Structure Prediction of Major Protein Families using Rosetta" |
| 4:45- 5:30 | T. Head-Gordon "Protein Structure Prediction and Solvation Potentials of Mean Force" |
| 5:30- 6:00 | Discussion
|
| Wednesday, Jan. 16 | Protein Folding |
| 8:30- 9:15 | S. W. Englander "How Proteins Fold, and Why" |
| 9:15-10:00 | G. Makhatadze "Thermodynamic Consequences
of Burial of Polar and Non-Polar Amino Acid Residues in Protein
Interior" |
| Break | |
| 10:15-11:00 | H. S. Chan "Towards a Consistent Modeling of Protein Thermodynamic and Kinetic Cooperativity: Chevron Plots and the Transition State Picture" |
| 11:00-11:45 | M. Oliveberg "Novel Aspects of the Folding Energy Landscape: Folding Gatekeepers and Evolutionary Optimisation of Structural Cooperativity" |
| 11:45-12:30 | C. Clementi "Interplay among Tertiary
Contacts, Secondary Structure Formation and Side-Chain Packing in the Protein
Folding Mechanism: All-atom Representation Study of Protein L"
Discussion |
| Free Afternoon
|
|
| Thursday, Jan. 17 | RNA and DNA |
| :30-9:15 | S Woodson "Native State Topology and Folding of RNA during Transcription" |
| 9:15-10:00 | D Thirumalai "Early Events in RNA Folding" |
| Break | |
| 10:15-11:00 | J Williamson "Assembly of the 30S Ribosomal Subunit" |
| 11:00-11:45 | T Sosnick "Intrinsic Rate-Limiting Steps in Tertiary RNA Folding" |
| 11:45-12:30 | K Sanbonmatsu "Simulations of the Ribosomal Decoding Center Complexed with Cognate and Near-Cognate tRNA" |
| Lunch (provided) | |
| Peptide Folding and Dynamics | |
| 2:00-2:45 | W. Eaton "Kinetics and Mechanisms in Protein Folding" |
| 2:45-3:30 | N. R. Kallenbach "Order in the Unfolded State of Peptides and Proteins" |
| Break | |
| 4:00- 4:45 | V. Pande "Simulations of Folding Kinetics in Atomistic Detail" |
| 4:45- 5:30 | R. B. Dyer "Dynamics of the Primary Processes of Protein Folding" |
| 5:30- 6:00 | Discussion |
| 7:00 - 10:00 | Banquet
|
| Friday, Jan. 18 | Folding and Dynamics |
| 8:30- 9:15 | J. N. Onuchic "The Protein Folding Energy Landscape: Contacting Theory and Experiments" |
| 9:15-10:00 | J. E. Shea "Probing the Free Energy Landscape of the src-SH3 Protein Domain" |
| Break | |
| 10:30-11:15 | D. Tobias "Coupling of Protein and Water Dynamics in Folded and Partially Unfolded States" |
| 11:15-12:00
12:00-12:45 12:00-12:30 |
A. Irback "Folding of a Small Helical
Protein Using Hydrogen Bonds and Hydrophobicity Forces"
H. Frauenfelder "Slaving and entropy in protein dynamics and function" Discussion |
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Transportation Information --- Shuttle Bus from Albuquerque
Airport to La Fonda Hotel: Sandia
Shuttle (www.sandiashuttle.com)
Reservations recommended