469 Modeling of Lipid Membranes and Membrane Proteins


Description:
This session seeks contributions on computational and theoretical modeling of lipid bilayers and membrane proteins. The session will focus both on the development and application of different computational approaches that provide molecular-level insights into membrane dynamics, lipid membrane complexity from eukaryotic to bacterial cells, lipid rafts, lipid-protein and protein-protein interactions, transport across membranes, cellular uptake mechanisms, nanoparticle-membrane adhesion, and the effect of surfactants on membranes. The emphasis of the session will be on simulation and computational papers, but contributions from complementary experimental papers are also welcome.

Sponsor:
Thermodynamics and Transport Properties


Chair:
Shikha Nangia
Assistant Professor
Syracuse University
Department of Biomedical and Chemical Engineering
Syracuse, NY
13244
Email: snangia@syr.edu

Co-Chair:
Reid Van Lehn
Assistant Professor
University of Wisconsin-Madison
Chemical and Biological Engineering
1200 E California Blvd
Madison, WI
91125
Email: vanlehn@wisc.edu


Papers:
469a
Nanoparticle Induced Rupture of Lipid Bilayers
Sean Burgess, Rutgers, The State University of New Jersey; Aleksey Vishnyakov, Rutgers, The State University of New Jersey; Alexander Neimark, Rutgers, The State University of New Jersey
469b
Nanoparticle Transport across Biomembranes: Probing the Limits and Consequences of Solubility-Diffusion Theories through Multiscale Modeling
David J. Smith, University of California, Santa Barbara; L. Gary Leal, University of California, Santa Barbara; Samir Mitragotri, Harvard University; M. Scott Shell, University of California, Santa Barbara
469c
Assembly of Charged Nanoparticles on Phase-Separated Lipid Bilayers
Reid C. Van Lehn, University of Wisconsin-Madison
469d
Effect of Post-Translational Modification on the Self-Assembly of Membrane Proteins
Shikha Nangia, Syracuse University
469e
Kir-Cholesterol Interactions: Molecular Simulations Reveal a Dynamic Ensemble of Lipid Ligands and a Composite Binding Domain of Asymmetric Concentration Dependence
Nicolas Barbera, University of Illinois at Chicago; Manuela A.A. Ayee, University of Illinois at Chicago; Belinda S. Akpa, North Carolina State University; Irena Levitan, University of Illinois at Chicago
469f
Characterizing Mechanisms for the Translocation of Charged Peptides across Lipid Bilayers with Enhanced Sampling Simulations
Samarthaben J. Patel, University of Wisconsin-Madison; Reid C. Van Lehn, University of Wisconsin-Madison
469g
Self-Assembly of Generic Scaffolding Proteins on Biologically Relevant Membranes
Zack Jarin, University of Chicago; Feng-Ching Tsai, Insitut Curie; Patricia Bassereau, Institut Curie; Gregory A. Voth, The University of Chicago
469h
Using Molecular Dynamics Simulations to Assess the Structure and Stability of Transmembrane Oligomeric Intermediates of Pore Forming Proteins
Rajat Desikan, Indian Institute of Science; Amit Behera, Indian Institute of Science; Prabal K. Maiti, Indian Institute of Science; K. G. Ayappa, Indian Institute of Science
469i
Scientific Benchmarks Guide Energy Function Improvements for Membrane Protein Modeling and Design
Rebecca F. Alford, Johns Hopkins University; Patrick Fleming, Johns Hopkins University; Karen G. Fleming, Johns Hopkins University; Jeffrey J. Gray, Johns Hopkins University
469j
Computational Modeling of Protein Interactions of the Matrix Domain of HIV-1 Gag
Viviana Monje-Galvan, The University of Chicago; Alexander J. Pak, The University of Chicago; Gregory A. Voth, The University of Chicago
Abstract Submissions Closed
See more of this Group/Topical: Engineering Sciences and Fundamentals
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