Lipid Membrane Remodeling by Proteins and Peptides: Mechanistic insights from multi-scale analysis
We will discuss the analysis of membrane remodeling by proteins and peptides using multi-scale computational methods; these include mainly molecular dynamics simulations at atomistic and coarse-grained levels, although we will also touch upon analyses using lattice models and a mean-field theory. The discussions will cover several systems that we have analyzed in recent studies, which include the ESCRTIII complex, complexin and peptides from SARS-COVID-2; we will also briefly discuss how protein condensates interact with lipid membranes, especially in terms of their mutual influence on morphology and phase behaviors. These examples illustrate different molecular properties and mechanisms that are potentially relevant to membrane remodeling, as well as the values and limitations of various computational methodologies in such context.
References
[1] Lysine-rich motif of synaptotagmin 1 regulates Ca2+ binding via liquid-liquid phase separation, N. Mehta, S. Mondal, E. T. Watson, Q. Cui, and E. R. Chapman, Nat. Commun., In press (2023)
[2] Coacervation induced remodeling of nanovesicles, S. Mondal and Q. Cui, J. Phys. Chem. Lett. 14, 4532 (2023).
[3] Sensitive and Selective Polymer Condensation at Membrane Surface Driven by Positive Co- operativity, Z. Liu, A. Yethiraj and Q. Cui, Proc. Natl. Acad. Sci. U.S.A., 120, e2212516120 (2023)
[4] Molecular mechanism of GTP binding- and dimerization-induced enhancement of Sar1- mediated membrane remodeling, S. Paul, A. Audhya and Q. Cui, Proc. Natl. Acad. Sci. U.S.A., 120, e2212513120 (2023)
[5] Coacervation of poly-electrolytes in the presence of lipid bilayers: Mutual alteration of structure and morphology, S. Mondal and Q. Cui, Chem. Sci., 13, 7933-7946 (2022)
[6] The complexin C-terminal amphipathic helix stabilizes the fusion pore open state by sculpting membranes, K. C. Courtney, L. Wu, T. Mandal, M. Swift, Z. Zhang, M. Alaghemandi, Z. Wu, M. M. Bradberry, C. Deo, L. D. Lavis, N. Volkmann, D. Hanein, Q. Cui, H. Bao and E. R. Chapman, Nat. Struct. Mol. Biol. 29, 97-107 (2022)
[7] Protein Induced Membrane Curvature in Coarse-Grained Simulations: Binding Interface, Insertion Depth and Lipid Spontaneous Curvature, T. Mandal, S. E. Spagnolie, A. Audhya and Q. Cui, Biophys. J., 120, 3211-3221 (2021)
Hosted by Professor Zheng Shi
~Coffee/tea will be served prior to the lecture~