Insight into the Self-Assembling Properties of Peptergents: A Molecular Dynamics Simulation Study
Abstract
:1. Introduction
2. Results
2.1. Simulations in Water
2.2. Coarse-Grained Simulation of the ADA8 Peptide in the Presence of a Membrane Protein
2.3. Coarse-Grained Simulation of the Designed ABZ12 Peptide in the Presence of a Membrane Protein
3. Discussion
4. Materials and Methods
4.1. Peptide Synthesis
4.2. Fourier Transform Infrared (FTIR) Experiments
4.3. Systems Studied
4.4. Atomistic Molecular Dynamic Simulations
4.5. Coarse Grained Molecular Dynamic Simulations
Supplementary Materials
Author Contributions
Funding
Conflicts of Interest
References
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Crowet, J.M.; Nasir, M.N.; Dony, N.; Deschamps, A.; Stroobant, V.; Morsomme, P.; Deleu, M.; Soumillion, P.; Lins, L. Insight into the Self-Assembling Properties of Peptergents: A Molecular Dynamics Simulation Study. Int. J. Mol. Sci. 2018, 19, 2772. https://doi.org/10.3390/ijms19092772
Crowet JM, Nasir MN, Dony N, Deschamps A, Stroobant V, Morsomme P, Deleu M, Soumillion P, Lins L. Insight into the Self-Assembling Properties of Peptergents: A Molecular Dynamics Simulation Study. International Journal of Molecular Sciences. 2018; 19(9):2772. https://doi.org/10.3390/ijms19092772
Chicago/Turabian StyleCrowet, Jean Marc, Mehmet Nail Nasir, Nicolas Dony, Antoine Deschamps, Vincent Stroobant, Pierre Morsomme, Magali Deleu, Patrice Soumillion, and Laurence Lins. 2018. "Insight into the Self-Assembling Properties of Peptergents: A Molecular Dynamics Simulation Study" International Journal of Molecular Sciences 19, no. 9: 2772. https://doi.org/10.3390/ijms19092772