2012 AIChE Annual Meeting

Session: Thermodynamics of Biomolecular Folding and Assembly

Co-Chair

Jeetain Mittal, Lehigh University

Presentations

12:30 PM

(117a) Invited: Theoretical Modeling of Clathrin Self-Assembly On an Undulating Membrane
Andrew J. Spakowitz

12:55 PM

(117b) Evaluating Photosynthetic Antenna Complex Assemblies for Efficient Solar Energy Utilization
Sándor Á. Kovács, Cynthia S. Lo

01:10 PM

(117c) Investigating Repressor Binding in the Tetracycline Operon by Molecular Dynamics Simulations
Dan S. Bolintineanu, Victor Vivcharuk, Yiannis Kaznessis

01:25 PM

(117d) Self-Assembly of Complex DNA Architectures Via Multiscale Simulations for Nanotechnology and Alterative Energy
Hung D. Nguyen, Iris W. Fu

01:40 PM

(117e) Predicting the Nature of the Protein Corona Surrounding Nanoparticles

01:55 PM

(117f) Thermodynamics of Misfolding of Polyglutamine Peptides
Aaron M. Fluitt, Juan J. de Pablo

02:10 PM

(117g) Charge Effects On the Fibril-Forming Peptide KΤVΙΙΕ: A Two-Dimensional Replica Exchange Simulation Study

02:25 PM

(117h) Regularizing Binding Energies and the Thermodynamics of Hydration --- an Approach to Study the Hydration Free Energy of a Protein From All-Atom Simulations
Valery Weber, Dheeraj Tomar

02:40 PM

(117i) Rapid Calculation of Protein Pka Values Using Rosetta
Krishna Praneeth Kilambi, Jeffrey J. Gray