2023 AIChE Annual Meeting

Session: Modeling of Lipid Membranes and Membrane Proteins

Chair

Diwakar Shukla, University of Illinois At Urbana-Champaign

Co-Chair

Reid Van Lehn, University of Wisconsin-Madison

Presentations

12:30 PM

(416a) Elucidating the Role of TREM2/ApoE Interactions in Microglial Activation and Alzheimer’s Disease with Molecular Simulations
Emma Lietzke, Kimberley Bruce, Kayla Sprenger

12:45 PM

(416b) Realistic Lipid Membrane Modeling with All-Atom Molecular Dynamics Simulations
Jinhui Li, Viviana Monje-Galvan

01:00 PM

(416c) Comprehensive Computational Study of the Realistic, Complex, and Multicomponent Lipid Bilayer of Staphylococcus Aureus
Faramarz Joodaki, Lenore M. Martin, Michael Greenfield

01:15 PM

(416d) Computational Design of Protein Nanopores for Selective Binding to Chemical Warfare Agents
Veda Sheersh Boorla, Behzad Mehrafrooz, Hyeonji Oh, Manish Kumar, Aleksei Aksimentiev, Costas D. Maranas, Ratul Chowdhury, Debolina Sarkar

01:30 PM

(416e) Uncovering the Effect of Lipid Headgroups on the Mechanical Properties of Ultra-Deformable Liposome Membranes Using Molecular Dynamics Simulations
Francisco Hung, Jiaming Xu

01:45 PM

(416f) Interpreting Structure-Dynamics-Function Relationships in Monoamine Transporters from High-Throughput Data
Diwakar Shukla