2013 AIChE Annual Meeting

Session: Model Development for Biomolecular Systems

Papers on the development of atomistic and coarse-grained models for the study of biological systems.

Chair

Klauda, J., University of Maryland

Co-Chair

Uline, M. J., U. South Carolina

Presentations

08:30 AM

(261a) Molecular Understanding of the Hydration of Zwitterionic Moieties: Effect of Charged Groups
Shao, Q., Jiang, S.

08:44 AM

(261b) Biomolecular Simulations With the Transferable Potentials for Phase Equilibria: Extension to Phosphlipids
Bhatnagar, N., Potoff, J., Kamath, G.

08:58 AM

(261c) Simulation Studies On Organelle-Specific Yeast Membrane Models and Amphipathic Lipid Packing Sensor (ALPS) Motif Binding Mechanism
Monje-Galvan, V., Klauda, J.

09:12 AM

(261d) Curvature and Tension Effects On the Sorting of Proteins in Phase-Separated Model Lipid Bilayers
Uline, M. J.

09:26 AM

(261e) Mechanism of a Hotdog-Fold Acyl-CoA Thioesterase By QM/MM Metadynamics Simulation
Cantu, D. C., Ardevol, A., Rovira, C., Reilly, P. J.

09:40 AM

(261f) DPD Simulation of Protein Conformations: From Alpha-Helices to Beta-Structures
Vishnyakov, A., Talaga, D. S., Neimark, A. V.

09:54 AM

(261g) Theoretical Model for HP1-Induced Heterochromatin Formation
Mulligan, P. J., Koslover, E. F., Spakowitz, A. J.

10:08 AM

(261h) A Predictive Model to the Drug Solubility in Supercritical Carbon Dioxide
Wang, L. H., Lin, S. T.

10:22 AM

(261i) A Computational Investigation Of Attrition-Enhanced Chiral Symmetry Breaking In Conglomerate Crystals
Ricci, F., Stillinger, F. H., Debenedetti, P.