Session: Thermodynamics of Biomolecular Folding and Assembly (2012 Annual Meeting)

Description:

Biological systems require precise folding, recognition, and self-assembly behaviors to form complex nanostructures and molecular machines. This session solicits theoretical, simulation, and experimental studies that address aspects of both natural and synthetic biomolecule folding and assembly. We encourage submissions that focus on fundamental biophysical thermodynamic and transport properties, mechanisms, and models. Topics of interest include: protein, RNA, and DNA folding and stability; design of structure and function; biomolecules at interfaces and under confinement; and self-assembly of biomolecules into machines and materials.

Sponsor:

Thermodynamics and Transport Properties

Chair:

M. Scott Shell
Assistant Professor
University of California Santa Barbara
Chemical Engineering
Santa Barbara, CA 93106-5080
Phone Number: 805-893-4346
Email: mscottshell@gmail.com

Co-Chair:

Jeetain Mittal
Lehigh University
Department of Chemical Engineering
111 Research Drive, Iacocca Hall
Bethlehem, PA 18015
Fax Number: 610-758-5057
Email: jeetain@lehigh.edu

Papers:

117a

Invited: Theoretical Modeling of Clathrin Self-Assembly On an Undulating Membrane
Andrew J. Spakowitz, Stanford University

117b

Evaluating Photosynthetic Antenna Complex Assemblies for Efficient Solar Energy Utilization
Sándor Á. Kovács, Washington University in St. Louis; William P. Bricker, Washington University in St. Louis; Jing Jiang, Washington University in St. Louis; Cynthia S. Lo, Washington University in St. Louis

117c

Investigating Repressor Binding in the Tetracycline Operon by Molecular Dynamics Simulations
Dan S. Bolintineanu, University of Minnesota; Victor Vivcharuk, University of Minnesota; Katherine Volzing, University of Minnesota; Yiannis Kaznessis, University of Minnesota

117d

Self-Assembly of Complex DNA Architectures Via Multiscale Simulations for Nanotechnology and Alterative Energy
Cade B. Markegard, University of California, Irvine; Iris W. Fu, University of California, Irvine; Hung D. Nguyen, University of California, Irvine

117e

Predicting the Nature of the Protein Corona Surrounding Nanoparticles
Lauren Ridge, North Carolina State University; Carol K. Hall, North Carolina State University

117f

Thermodynamics of Misfolding of Polyglutamine Peptides
Aaron M. Fluitt, University of Wisconsin-Madison; Juan J. de Pablo, University of Wisconsin-Madison

117g

Charge Effects On the Fibril-Forming Peptide KΤVΙΙΕ: A Two-Dimensional Replica Exchange Simulation Study
Joo-hyun Jeon, University of California Santa Barbara; Carolyn E. Mills, University of California Santa Barbara; M. Scott Shell, University of California Santa Barbara

117h

Regularizing Binding Energies and the Thermodynamics of Hydration --- an Approach to Study the Hydration Free Energy of a Protein From All-Atom Simulations
Dilip Asthagiri, Johns Hopkins University; Valery Weber, IBM; Dheeraj Tomar, Johns Hopkins University

117i

Rapid Calculation of Protein Pk_a Values Using Rosetta
Krishna Praneeth Kilambi, Johns Hopkins University; Jeffrey J. Gray, Johns Hopkins University

See more of this Group/Topical: Engineering Sciences and Fundamentals

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