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Molecular Simulation and Modeling of Complex Molecules II
Chair(s):
Shukla, D., University of Illinois at Urbana-Champaign
Co-chair(s):
Uline, M. J., University of South Carolina

We invite papers presenting computational investigations of large-scale molecules (highly functionalized polymers, biomolecules, aromatics, etc.). Contributions at the quantum, atomistic, or coarse-grained length scales are all acceptable. Papers showing direct comparisons to experimental measurements or theoretical predictions are especially encouraged.

Papers:
12:30 PM
(360a) Molecular Modeling, Simulation, and Structure Determination of GLP1/GLP1R Complex for Type-2 Diabetes
12:50 PM
(360b) Multiscale Models for Peptoid Simulations
1:10 PM
(360c) Force Fields Induce Nonplanar Structures for Planar Rings in Some Amino Acids
1:30 PM
(360d) Design of Sulfobetaine-Lysine Copolymers for DNA Complexation and Delivery: Molecular Simulations and Experiments
1:50 PM
(360e) Membrane Nanotubes: Computational Modeling of Actin-Membrane Interactions
2:10 PM
(360f) First Principles Molecular Dynamics Simulations of Deep Eutectic Solvent Systems
2:30 PM
(360g) Computation of CO2 Solubility in Triglycerides Using Monte Carlo Simulations
2:50 PM
(360h) Separation Analysis in a High-Speed Rotating Cylinder for a Binary Gas Mixture

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Individuals

AIChE Members $150.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
Non-Members $225.00