388 Thermophysical Properties of Biological Systems

Description:
The focus of this session is the study of complex processes in biological systems. Contributions from theoreticians, simulators, and experimentalists are welcome. Suggested topics include protein-protein interactions, concentration and crowding effects on biomolecular folding and stability, misfolding and aggregation events, interactions of proteins with interfaces, and self-assembly of biological molecules.

Sponsor:
Thermodynamics and Transport Properties

Chair:
Christina M. Payne
Email: christy.payne@uky.edu

Co-Chair:
Gregg T. Beckham
Email: gregg.beckham@nrel.gov


Papers:

3:15 PM
(388a) Second Osmotic Virial Coefficients for “Patchy” Proteins
Christopher J. Roberts and Marco A. Blanco

3:33 PM
(388b) Effects of Macromolecular Crowding On Amyloid Beta (16-22) Aggregation Using Coarse-Grained Simulations
David C. Latshaw II and Carol K. Hall

3:51 PM
(388c) Molecular Dynamics Simulations of Self-Assembled DNA Nanostructures
Cade B. Markegard, Iris W. Fu and Hung D. Nguyen

4:09 PM
(388d) Strategies to Stabilize Proteins On Surfaces From Improved Modeling of Protein-Surface Interactions
Brandon Loong, Song Min Schinn, Derek B. Bush and Thomas A. Knotts IV

4:27 PM
(388e) Novel Biclustering Framework for Tertiary Contact Prediction Using Low-Homology Protein Templates
James Smadbeck, Chris A. Kieslich, George A. Khoury and Christodoulos A. Floudas

4:45 PM
(388f) Tunable Nucleation Time of Functional Sphingomyelinase-Lipid Complex
Charng-yu Lin and Ling Chao

5:03 PM
(388g) Interaction of Room Temperature Ionic Liquids With Lipid Membrane: A Molecular Simulation Study
Jindal K. Shah and Edward J. Maginn

5:21 PM
(388h) A Comparative Study of Gromos- and Charmm-Based Force Fields for the Simulation of Non-Hydroxy Ceramide Bilayers
Christopher R. Iacovella, Shan Guo, Timothy C. Moore and Clare McCabe

5:39 PM
(388i) Identifying Ligand Binding Sites and Poses Using Hamiltonian Replica Exchange Molecular Dynamics: Model Systems and a Validation Study Using the Astex Diverse Set
Kai Wang, Yanzhi Yang, John D. Chodera and Michael R. Shirts
See more of this Group/Topical: Engineering Sciences and Fundamentals
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