Molecular Simulation and Modeling of Complex Molecules II | AIChE

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Molecular Simulation and Modeling of Complex Molecules II

Chair(s)

Arya, G., University of California San Diego

Co-chair(s)

Chu, J. W., University of California, Berkeley

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.

Presentations

12:30 PM
(133a) Multiscale Modeling of Membrane Sculpting By the Protein exo70
12:45 PM
(133b) Multiscale Modeling of the Organization of Receptor Transmembrane Domains in Lipid Membranes
1:00 PM
(133c) Characterizing the Structure of Biomineralization Proteins Using Replica-Exchange Molecular Dynamics Simulations
1:15 PM
(133d) Absolute Ligand Binding Free Energy of Glycoside Hydrolases As a Metric for Processivity and Polysaccharide Morphology Dependence
1:30 PM
(133e) Comparison of Ionic Liquid-Tolerant Glycoside Hydrolases Using Molecular Dynamics
1:45 PM
(133f) Molecular Dynamics Insights Into Targeting CXCR4 By Branched Peptides Based On DV3
2:00 PM
(133g) A Molecular Dynamics Study of Single-Walled Carbon Nanotubes (SWCNTs) Dispersed in Bile Salt Surfactants
2:15 PM
(133h) Different Self-Associations of Carboxybetaine and Sulfobetaine
2:30 PM
(133i) Molecular Interactions Between Fc Fragment of IgG and Peptide Ligand for Affinity Chromatography

Topics 

Thermodynamics
Physical Properties

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Individuals

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

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