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Session A7: Bacterial Flagellar Dynamics, Polymorphism, and Conformational Spread DBP Mon Chair: Phil Nelson - Monday rm 307 8:00AM 01: Theory of polymorphic transformations of flagella Thomas Powers 8:36AM 02: Synchronization of rotating flagella by hydrodynamic interactions Holger Stark 9:12 03: Bacterial Flagellar Transformations Nicholas Darnton 9:48AM 04: Spiroplasma swim by a processive change in body helicity. Joshua Shaevitz

Session A13: Focus Session: Spectroscopy of Biomolecules from Isolated Molecules to Cell

Environoment I DCP Mon Chair: David Pratt Room - 305 8:00AM 01: Watching proteins function with picosecond X-ray crystallography and molecular dynamics simulations. Philip

Anfinrud 8:36AM 02: Raman spectra of normal and cancerous mouse mammary gland tissue using near infrared excitation energy

Vaman Naik, G.K. Serhatkulu, H. Dai, N. Shukla, R. Weber, J.S. Thakur, D.C. Freeman, A.K. Pandya, G.W. Auner, R. Naik, R.F. Miller, A. Cao, M.D. Klein, R. Rabah 8:48AM 03: Probing the beta-hairpin local structure by FTIR, 2D IR and ab initio calculation Jianping Wang, Jianxin Chen,

Robin M. Hochstrasser 9:00AM 04: Spectral Signatures of 3-10 and alpha Helices Revealed by Two-Dimensional Infrared Spectroscopy Nien-Hui

Ge, Hiroaki Maekawa, Claudio Toniolo, Quirinus Broxterman 9:12AM 05: Terahertz Absorption and Circular Dichroism Spectroscopy of Solvated Biopolymers Jing Xu, Kevin Plaxco, S.

James Allen 9:24AM 06: “Intermediate couplings: NMR at the solids-liquids interface” Megan Spence 10:00AM 07: Time correlation functions in Light Harvesting Complexes embedded in Glassy Hosts Felipe Caycedo, Ferney

Rodriguez 10:12AM 08: Conformational Dynamics of the Receptor Protein Galactose/Glucose Binding Protein Troy Messina, David

Talaga 10:24AM 09: Quantifying Energy, Entropy and Free-Energy in Protein Folding Funnels Bernard Gerstman, Prem Chapagain 10:36AM 10: Landscape model of protein-DNA search: coupling of folding and sliding. Michael Slutsky, Mehran Kardar,

Leonid Mirny 10:48AM 11: Modelling Ultra-fast folding proteins Kingshuk Ghosh, S. Banu Ozkan, Ken Dill

Session A26: Biomolecular Computation DBP Mon Chair: Thomas Darden Mon Rm - 323 8:00AM 01: Quantum Mechanical Study of C-Terminal Cleavage Reaction in Inteins Philip Shemella, Saroj Nayak, Brian

Pereira, Shekhar Garde, Georges Belfort, Patrick Van Roey, Vicky Derbyshire, Marlene Belfort 8:12AM 02: Evolutionary Strategies for Protein Folding Srinivasa Murthy Gopal, Wolfgang Wenzel 8:24AM 03: Towards predictive molecular dynamics simulations of DNA: electrostatics and solution/crystal environments

Volodymr Babin, Jason Baucom, Thomas Darden, Celeste Sagui 8:36AM 04: Coarse-grained model of chaperonin-mediated protein folding George Stan, D. Thirumalai, George Lorimer,

Bernard Brooks 8:48AM 05: Using Molecular Dynamics simulations in the analysis of Electron Spin Resonance spectra Deniz Sezer, Benoit

Roux 9:00AM 06: Locating structural energy minimum of biological molecules in explicit solvent Eric Dykeman, Otto Sankey 9:12AM 07: Predicting 3D structures of transient protein-protein complexes Petras Kundrotas, Emil Alexov 9:24AM 08: Charge transfers from Na atom in (H2O)n clusters and in water solution Takeshi Nozue, Junichi Hoshino, Kazuo

Tsumuraya 9:36AM 09: Coarse-graining protein energetics in sequence variables Fei Zhou, Gevorg Grigoryan, Amy Keating, Gerbrand

Ceder, Dane Morgan 9:48AM 10: MAME Water Model: hydrogen bonding, electrostatic, polarization and van der Waals interactions in water.

Eugene Tsiper 10:00AM 11: Accurate computation and interpretation of spin-dependent properties in metalloproteins Jorge Rodriguez 10:12AM 12: Electrostatic effects on the shape of charged lipid membranes Graziano Vernizzi, Monica Olvera 10:24AM 13: Computational studies of a redox-driven proton pump: Cytochrome c oxidase and biological energy

transduction Alexei A. Stuchebrukhov 10:36AM 14: Ab Initio QM/MM Study of the Ester-hydrolysis Reaction Mechanism in Haloalkane Dehalogenase Yiming

Zhang, Yu Zhou, Saroj Nayak, Angel Garcia 10:48AM 15: Combining biophysical and bioinformatical approaches for predicting residue's contacts. Emil Alexov, Amber

Allardice, Petras Kundrotas

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