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Publications
Proceedings
2012 AIChE Annual Meeting
Engineering Sciences and Fundamentals
Molecular Simulation and Modeling of Complex Molecules I
2012 AIChE Annual Meeting
Session: Molecular Simulation and Modeling of Complex Molecules I
Chair
Chu, P. J. W.
, University of California, Berkeley
Co-Chairs
Bara, J. E.
, University of Alabama
Malani, A.
, Massachusetts Institute of Technology
Presentations
08:30 AM
(650a) Lipid Diversity: Is It Important in Modeling Organism and Organelle Membranes?
09:00 AM
(650b) Multiscale Modeling of Membrane Remodeling by the Protein Epsin
09:17 AM
(650c) Twisting Coarse-Grained DNA
09:34 AM
(650d) Predicting Anti-HIV-1 Activity of Tibo Compounds by QSAR Approach Using a New Topological Index
09:51 AM
(650e) Understanding the Activation Mechanism of the Insulin Receptor Kinase Domain Using Enhanced Conformational Sampling and Free-Energy Calculations
10:42 AM
(650g) Free Energy Landscape of C Rugosa Lid Closing by Well-Tempered Metadynamics
10:59 AM
(650h) Molecular Dynamics Study of Polymer Separation Using a Nanofluidic Staircase