2012 AIChE Annual Meeting

Session: Molecular Simulation and Modeling of Complex Molecules I

Chair

Prof. Jhih-Wei Chu, University of California, Berkeley

Co-Chairs

Jason E. Bara, University of Alabama

Ateeque Malani, Massachusetts Institute of Technology

Presentations

08:30 AM

(650a) Lipid Diversity: Is It Important in Modeling Organism and Organelle Membranes?

Jeffery Klauda

09:00 AM

(650b) Multiscale Modeling of Membrane Remodeling by the Protein Epsin

Ravi Radhakrishnan

09:17 AM

(650c) Twisting Coarse-Grained DNA

Margaret C. Linak

09:34 AM

(650d) Predicting Anti-HIV-1 Activity of Tibo Compounds by QSAR Approach Using a New Topological Index

Ma Peisheng, Xia Shuqian, Tang Hongmei, Deng Yu

09:51 AM

(650e) Understanding the Activation Mechanism of the Insulin Receptor Kinase Domain Using Enhanced Conformational Sampling and Free-Energy Calculations

Harish Vashisth

10:42 AM

(650g) Free Energy Landscape of C Rugosa Lid Closing by Well-Tempered Metadynamics

Jim Pfaendtner

10:59 AM

(650h) Molecular Dynamics Study of Polymer Separation Using a Nanofluidic Staircase

Christopher Forrey