Mat25444 Vol. 24 No. 2 (2025)

Vol. 24, No. 2 (2025), Mat25444 https://doi.org/10.24275/rmiq/Mat25444

Molecular dynamics of SDS-coated gold nanoparticles in aqueous medium with Coarse-grained model and MARTINI force field

Authors

D.E. Altamirano-Bulnes, E.D. Estrada-López

Abstract

Gold nanoparticles have garnered significant interest in recent years across various fields of study, including materials science, biomedicine, drug delivery design, electronics, and optics, among others. Numerous studies have aimed to visualize their properties by coating them with polymers, proteins, surfactants, and genes to observe and analyze variations in their functioning. With advances in computing, these nanoparticles have been examined using molecular dynamics methodologies to simulate their interactions with different solvents and particles, thereby predicting their behavior in diverse applications. In this research, spherical gold nanoparticle systems with a radius of 1.5 nm, coated with the surfactant sodium dodecyl sulfate (SDS), are investigated in an aqueous medium with varying concentrations utilizing molecular dynamics with a coarse-grained approach and the MARTINI force field to examine energy, structural, transport, and stability aspects properties.

Keywords

metal nanoparticles, active agent, interface, computer simulation, nanomaterials.

References
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Unique Roles of Gold Nanoparticles in Drug Delivery, Targeting and Imaging Applications. https://doi.org/10.3390/molecules22091445 Asish, Pal; Aasheesh, S. S., & Bhattacharya. (2009). Role of Capping Ligands on the Nanoparticles in the Modulation of Properties of a Hybrid Matrix of Nanoparticles in a 2D Film and in a. 9169–9182. https://doi.org/10.1002/chem.200900304 Baranowska-Korczyc, A., Stelmach, E., Paterczyk, B., Maksymiuk, K., & Michalska, A. (2019). Ultrasmall self-assembly poly (N-isopropylacrylamide-butyl acrylate) (polyNIPAM-BA) thermoresponsive nanoparticles. Journal of Colloid and Interface Science, 542, 317–324. https://doi.org/10.1016/j.jcis.2019.02.004 Barrak, H., Saied, T., Chevallier, P., Laroche, G., Mnif, A., & Hamzaoui, A. H. (2016). Synthesis, characterization, and functionalization of ZnO nanoparticles by N-(trimethoxysilylpropyl) ethylenediamine triacetic acid (TMSEDTA): Investigation of the interactions between Phloroglucinol and ZnO@TMSEDTA. Arabian Journal of Chemistry. https://doi.org/10.1016/j.arabjc.2016.04.019 Baoukina, S., Rozmanov, D., & Tieleman, D. P. (2017). Composition Fluctuations in Lipid Bilayers. Biophysical Journal, 113(12), 2750–2761. https://doi.org/10.1016/j.bpj.2017.10.009 Berendsen, H. J. C. (1991). Transport Properties Computed by Linear Response through Weak Coupling to a Bath. Computer Simulation in Materials Science, 139–155. https://doi.org/10.1007/978-94-011-3546-7_7 Bordoni, G. P., & Colherinhas, G. (2022). On the influence of increasing the concentration of Au144(SRCOO1-)60 nanoparticles in water/Na1+ solution using molecular dynamics simulations. Journal of Molecular Liquids, 368, 120776. https://doi.org/10.1016/J.MOLLIQ.2022.120776 Bussi, G., Donadio, D., & Parrinello, M. (2007). Canonical sampling through velocity rescaling. Journal of Chemical Physics, 126(1). https://doi.org/10.1063/1.2408420 Deshmukh, S., Mooney, D. A., McDermott, T., Kulkarni, S., & Don MacElroy, J. M. (2009). Molecular modeling of thermo-responsive hydrogels: Observation of lower critical solution temperature. Soft Matter, 5(7), 1514–1521. https://doi.org/10.1039/b816443f Elahi, N., Kamali, M., & Baghersad, M. H. (2018). Recent biomedical applications of gold nanoparticles: A review. Talanta, 184(February), 537–556. https://doi.org/10.1016/j.talanta.2018.02.088 Estrada-López, E. D., Murce, E., Franca, M. P. P., & Pimentel, A. S. (2017). Prednisolone adsorption on lung surfactant models: Insights on the formation of nanoaggregates, monolayer collapse and prednisolone spreading. RSC Advances, 7(9), 5272–5281. https://doi.org/10.1039/c6ra28422a Fitzgerald, G., Dejoannis, J., & Meunier, M. (2015). Multiscale modeling of nanomaterials. In Modeling, Characterization and Production of Nanomaterials: Electronics, Photonics and Energy Applications. Elsevier Ltd. https://doi.org/10.1016/B978-1-78242-228-0.00001-6 Franco-ulloa, S., Riccardi, L., Rimembrana, F., Grottin, E., Pini, M., & Vivo, M. De. (2022). NanoModeler CG: A Tool for Modeling and Engineering Functional Nanoparticles at a Coarse-Grained Resolution. https://doi.org/10.1021/acs.jctc.2c01029 Ganesh, M., Hemalatha, P., Peng, M. M., & Jang, H. T. (2013). One pot synthesized Li, Zr doped porous silica nanoparticles for low temperature CO 2 adsorption. ARABIAN JOURNAL OF CHEMISTRY, 2–6. https://doi.org/10.1016/j.arabjc.2013.04.031 Gupta, R., & Rai, B. (2017). Effect of Size and Surface Charge of Gold Nanoparticles on their Skin Permeability: A Molecular Dynamics Study. Scientific Reports, 7(February), 1–13. https://doi.org/10.1038/srep45292 Harding, G., & Harding, A. (2007). X-ray Diffraction Imaging for Explosives Detection. October 2006, 199–235. Hockney, R. W., Goel, S. P., & Eastwood, J. W. (1974). Quite high-resolution computer models of plasma. Journal of Computational Physics, 14(2), 148–158. https://doi.org/10.1016/0021-9991(74)90010-2 Hu, X., Zhang, Y., Ding, T., Liu, J., & Zhao, H. (2020). Multifunctional Gold Nanoparticles: A Novel Nanomaterial for Various Medical Applications and Biological Activities. 8(August), 1–17. https://doi.org/10.3389/fbioe.2020.00990 Joshi, S. Y., & Deshmukh, S. A. (2021). A review of advancements in coarse-grained molecular dynamics simulations. Molecular Simulation, 47(10–11), 786–803. https://doi.org/10.1080/08927022.2020.1828583 Khan, I., Saeed, K., & Khan, I. (2019). Nanoparticles: Properties, applications, and toxicities. Arabian Journal of Chemistry, 12(7), 908–931. https://doi.org/10.1016/j.arabjc.2017.05.011 Khan, I., Yamani, Z. H., & Qurashi, A. (2017). Ultrasonics Sonochemistry Sonochemical-driven ultrafast facile synthesis of SnO2 nanoparticles: Growth mechanism structural electrical and hydrogen gas sensing properties. Ultrasonics - Sonochemistry, 34, 484–490. https://doi.org/10.1016/j.ultsonch.2016.06.025 Kmiecik, S., Gront, D., Kolinski, M., Wieteska, L., Dawid, A. E., & Kolinski, A. (2016). Coarse-Grained Protein Models and Their Applications. Chemical Reviews, 116(14), 7898–7936. https://doi.org/10.1021/acs.chemrev.6b00163 Lee, J. I. E. U. N., Lee, N., Kim, T., Kim, J., & Hyeon, T. (2011). Multifunctional Mesoporous Silica Nanocomposite Nanoparticles for Theranostic Applications. 44(10), 893–902 Lu, X., Zhu, T., Chen, C., & Liu, Y. (2014). Right or Left: The Role of Nanoparticles in Pulmonary Diseases. 17577–17600. https://doi.org/10.3390/ijms151017577 Mansha, M., Khan, I., Ullah, N., & Qurashi, A. (2017). Synthesis, characterization, and hydrogen evolution reaction of carbazole-containing conjugated polymers. International Journal of Hydrogen Energy, 1–10. https://doi.org/10.1016/j.ijhydene.2017.02.053 Marrink, S. J., Risselada, H. J., Yefimov, S., Tieleman, D. P., & De Vries, A. H. (2007). The MARTINI force field: Coarse grained model for biomolecular simulations. Journal of Physical Chemistry B, 111(27), 7812–7824. https://doi.org/10.1021/jp071097f Marrink, S. J., & Tieleman, D. P. (2013). Perspective on the martini model. Chemical Society Reviews, 42(16), 6801–6822. https://doi.org/10.1039/c3cs60093a Marrink, S. J., Vries, A. H. De, & Mark, A. E. (2004). Coarse Grained Model for Semiquantitative Lipid Simulations. 750–760. Montoya-Villegas, K., Navarro-Félix, R. ., Rejón-Garcia, L., Silva-Carillo, C., Trujillo-Navarrete, B., Lin-Ho, S. ., & Reynoso-Soto, E. . (2020). Synthesis of Au-TiO2 nanoparticles as sensors of 3-mercaptopropionic acid. Revista Mexicana De Ingenieria Quimica, 19(941–952), 97–104. Núñez-Delgado, C., Luna-Flores, A., Conde-Hernández, L. A., Flores-Aquino, E., Romero-López, A., & Tepale, N. (2023). Biosynthesis of gold nanoparticles using the aqueous extract of Hippocratea excelsa root bark. Antioxidant and photocatalytic evaluation. Revista Mexicana De Ingeniería Química, 22(IA2367). Owen, D. M. (2014). Methods in membrane lipids: Second edition. Methods in Membrane Lipids: Second Edition, 1232, 1–327. https://doi.org/10.1007/978-1-4939-1752-5 Pizzirusso, A., De Nicola, A., & Milano, G. (2016). MARTINI Coarse-Grained Model of Triton TX-100 in Pure DPPC Monolayer and Bilayer Interfaces. Journal of Physical Chemistry B, 120(16), 3821–3832. https://doi.org/10.1021/acs.jpcb.6b00646 Pronk, S., Páll, S., Schulz, R., Larsson, P., Bjelkmar, P., Apostolov, R., Shirts, M. R., Smith, J. C., Kasson, P. M., Van Der Spoel, D., Hess, B., & Lindahl, E. (2013). GROMACS 4.5: A high-throughput and highly parallel open-source molecular simulation toolkit. Bioinformatics, 29(7), 845–854. https://doi.org/10.1093/bioinformatics/btt055 Ramacharyuly, P.V.R.K; Muhammad, Raeesh; Kumar, Praveen J.; Prasad, G. K. (2015). Iron Phthalocyanine Modified Mesoporous Titania Nanoparticles for Photocatalytic Activity and CO2 Capture Applications. https://doi.org/10.1039/C5CP03576G Ramalingam, V. (2019). Multifunctionality of gold nanoparticles: Plausible and convincing properties. Advances in Colloid and Interface Science, 271, 101989. https://doi.org/10.1016/j.cis.2019.101989 Rawal, I., & Kaur, A. (2013). Sensors and Actuators A: Physical Synthesis of mesoporous polypyrrole nanowires / nanoparticles for ammonia gas sensing application. Sensors & Actuators: A. Physical, 203, 92–102. https://doi.org/10.1016/j.sna.2013.08.023 Shaalan, M., Saleh, M., & El-mahdy, M. (2016). Recent progress in applications of nanoparticles in fish medicine: A review. Nanomedicine: Nanotechnology, Biology, and Medicine, 12(3), 701–710. https://doi.org/10.1016/j.nano.2015.11.005 Si, K. J., Chen, Y., Shi, Q., & Cheng, W. (2018). Nanoparticle Superlattices: The Roles of Soft Ligands. https://doi.org/10.1002/advs.201700179 Souza, L. M. P., Nascimento, J. B., Romeu, A. L., Estrada-López, E. D., & Pimentel, A. S. (2018). Penetration of antimicrobial peptides in a lung surfactant model. Colloids and Surfaces B: Biointerfaces, 167, 345–353. https://doi.org/10.1016/J.COLSURFB.2018.04.030 Taylor, P., Gunsteren, W. F. Van, & Berendsen, H. J. C. (2007). A Leap-frog Algorithm for Stochastic Dynamics A LEAP-FROG ALGORITHM FOR STOCHASTIC DYNAMICS. May 2013, 37–41. Vaisey, G., Banerjee, P., North, A. J., Haselwandter, C. A., & Mackinnon, R. (2022). Piezo1 as a force-through-membrane sensor in red blood cells. ELife, 11, 1–21. https://doi.org/10.7554/ELIFE.82621 Velasco-Rodríguez, V., Cornejo-Mazon, M., Flores-Flores, J. O., Gutierrez-Lopez, G. F., & Hernandez-Sanchez, H. (2012). Preparation and properties of alpha-lipoic acid-loaded chitosan nanoparticles. Revista Mexicana De Ingenieria Química, 11(1), 155–161. Wassenaar, T. A., Ingólfsson, H. I., Böckmann, R. A., Tieleman, D. P., & Marrink, S. J. (2015). Computational lipidomics with insane: a versatile tool for generating custom membranes for molecular simulations. https://doi.org/10.1021/acs.jctc.5b00209 Wong, K., Chen, C., Wei, K., Roy, V. A. L., & Chathoth, S. M. (2015). Diffusion of gold nanoparticles in toluene and water as seen by dynamic light scattering. Journal of Nanoparticle Research, 17(3). https://doi.org/10.1007/s11051-015-2965-x Zimbone, M., Calcagno, L., Messina, G., Baeri, P., & Compagnini, G. (2011). Dynamic light scattering and UV-vis spectroscopy of gold nanoparticles solution. Materials Letters, 65(19–20), 2906–2909. https://doi.org/10.1016/j.matlet.2011.06.054

References

Abraham, M. J., Murtola, T., Schulz, R., Páll, S., Smith, J. C., Hess, B., & Lindah, E. (2015). Gromacs: High performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX, 1–2, 19–25. https://doi.org/10.1016/j.softx.2015.06.001
Abu Samah, N. H., & Heard, C. M. (2014). The effects of topically applied polyNIPAM-based nanogels and their monomers on skin cyclooxygenase expression, ex vivo. Nanotoxicology, 8(1), 100–106. https://doi.org/10.3109/17435390.2012.754511
Albaladejo, S., Marqués, M. I., Scheffold, F., & Sáenz, J. J. (2009). Giant enhanced diffusion of gold nanoparticles in optical vortex fields. Nano Letters, 9(10), 3527–3531. https://doi.org/10.1021/nl901745a
Alexander, S. T. (1986). The Method of Steepest Descent. Adaptive Signal Processing, 46–67. https://doi.org/10.1007/978-1-4612-4978-8_4
Applications, I. (2017). Unique Roles of Gold Nanoparticles in Drug Delivery, Targeting and Imaging Applications. https://doi.org/10.3390/molecules22091445
Asish, Pal; Aasheesh, S. S., & Bhattacharya. (2009). Role of Capping Ligands on the Nanoparticles in the Modulation of Properties of a Hybrid Matrix of Nanoparticles in a 2D Film and in a. 9169–9182. https://doi.org/10.1002/chem.200900304
Baranowska-Korczyc, A., Stelmach, E., Paterczyk, B., Maksymiuk, K., & Michalska, A. (2019). Ultrasmall self-assembly poly (N-isopropylacrylamide-butyl acrylate) (polyNIPAM-BA) thermoresponsive nanoparticles. Journal of Colloid and Interface Science, 542, 317–324. https://doi.org/10.1016/j.jcis.2019.02.004

Barrak, H., Saied, T., Chevallier, P., Laroche, G., Mnif, A., & Hamzaoui, A. H. (2016). Synthesis, characterization, and functionalization of ZnO nanoparticles by N-(trimethoxysilylpropyl) ethylenediamine triacetic acid (TMSEDTA): Investigation of the interactions between Phloroglucinol and ZnO@TMSEDTA. Arabian Journal of Chemistry. https://doi.org/10.1016/j.arabjc.2016.04.019
Baoukina, S., Rozmanov, D., & Tieleman, D. P. (2017). Composition Fluctuations in Lipid Bilayers. Biophysical Journal, 113(12), 2750–2761. https://doi.org/10.1016/j.bpj.2017.10.009

Berendsen, H. J. C. (1991). Transport Properties Computed by Linear Response through Weak Coupling to a Bath. Computer Simulation in Materials Science, 139–155. https://doi.org/10.1007/978-94-011-3546-7_7
Bordoni, G. P., & Colherinhas, G. (2022). On the influence of increasing the concentration of Au144(SRCOO1-)60 nanoparticles in water/Na1+ solution using molecular dynamics simulations. Journal of Molecular Liquids, 368, 120776. https://doi.org/10.1016/J.MOLLIQ.2022.120776

Bussi, G., Donadio, D., & Parrinello, M. (2007). Canonical sampling through velocity rescaling. Journal of Chemical Physics, 126(1). https://doi.org/10.1063/1.2408420
Deshmukh, S., Mooney, D. A., McDermott, T., Kulkarni, S., & Don MacElroy, J. M. (2009). Molecular modeling of thermo-responsive hydrogels: Observation of lower critical solution temperature. Soft Matter, 5(7), 1514–1521. https://doi.org/10.1039/b816443f

Elahi, N., Kamali, M., & Baghersad, M. H. (2018). Recent biomedical applications of gold nanoparticles: A review. Talanta, 184(February), 537–556. https://doi.org/10.1016/j.talanta.2018.02.088
Estrada-López, E. D., Murce, E., Franca, M. P. P., & Pimentel, A. S. (2017). Prednisolone adsorption on lung surfactant models: Insights on the formation of nanoaggregates, monolayer collapse and prednisolone spreading. RSC Advances, 7(9), 5272–5281. https://doi.org/10.1039/c6ra28422a

Fitzgerald, G., Dejoannis, J., & Meunier, M. (2015). Multiscale modeling of nanomaterials. In Modeling, Characterization and Production of Nanomaterials: Electronics, Photonics and Energy Applications. Elsevier Ltd. https://doi.org/10.1016/B978-1-78242-228-0.00001-6
Franco-ulloa, S., Riccardi, L., Rimembrana, F., Grottin, E., Pini, M., & Vivo, M. De. (2022). NanoModeler CG: A Tool for Modeling and Engineering Functional Nanoparticles at a Coarse-Grained Resolution. https://doi.org/10.1021/acs.jctc.2c01029
Ganesh, M., Hemalatha, P., Peng, M. M., & Jang, H. T. (2013). One pot synthesized Li, Zr doped porous silica nanoparticles for low temperature CO 2 adsorption. ARABIAN JOURNAL OF CHEMISTRY, 2–6. https://doi.org/10.1016/j.arabjc.2013.04.031
Gupta, R., & Rai, B. (2017). Effect of Size and Surface Charge of Gold Nanoparticles on their Skin Permeability: A Molecular Dynamics Study. Scientific Reports, 7(February), 1–13. https://doi.org/10.1038/srep45292
Harding, G., & Harding, A. (2007). X-ray Diffraction Imaging for Explosives Detection. October 2006, 199–235.
Hockney, R. W., Goel, S. P., & Eastwood, J. W. (1974). Quite high-resolution computer models of plasma. Journal of Computational Physics, 14(2), 148–158. https://doi.org/10.1016/0021-9991(74)90010-2
Hu, X., Zhang, Y., Ding, T., Liu, J., & Zhao, H. (2020). Multifunctional Gold Nanoparticles: A Novel Nanomaterial for Various Medical Applications and Biological Activities. 8(August), 1–17. https://doi.org/10.3389/fbioe.2020.00990
Joshi, S. Y., & Deshmukh, S. A. (2021). A review of advancements in coarse-grained molecular dynamics simulations. Molecular Simulation, 47(10–11), 786–803. https://doi.org/10.1080/08927022.2020.1828583

Khan, I., Saeed, K., & Khan, I. (2019). Nanoparticles: Properties, applications, and toxicities. Arabian Journal of Chemistry, 12(7), 908–931. https://doi.org/10.1016/j.arabjc.2017.05.011
Khan, I., Yamani, Z. H., & Qurashi, A. (2017). Ultrasonics Sonochemistry Sonochemical-driven ultrafast facile synthesis of SnO2 nanoparticles: Growth mechanism structural electrical and hydrogen gas sensing properties. Ultrasonics - Sonochemistry, 34, 484–490. https://doi.org/10.1016/j.ultsonch.2016.06.025
Kmiecik, S., Gront, D., Kolinski, M., Wieteska, L., Dawid, A. E., & Kolinski, A. (2016). Coarse-Grained Protein Models and Their Applications. Chemical Reviews, 116(14), 7898–7936. https://doi.org/10.1021/acs.chemrev.6b00163

Lee, J. I. E. U. N., Lee, N., Kim, T., Kim, J., & Hyeon, T. (2011). Multifunctional Mesoporous Silica Nanocomposite Nanoparticles for Theranostic Applications. 44(10), 893–902
Lu, X., Zhu, T., Chen, C., & Liu, Y. (2014). Right or Left: The Role of Nanoparticles in Pulmonary Diseases. 17577–17600. https://doi.org/10.3390/ijms151017577
Mansha, M., Khan, I., Ullah, N., & Qurashi, A. (2017). Synthesis, characterization, and hydrogen evolution reaction of carbazole-containing conjugated polymers. International Journal of Hydrogen Energy, 1–10. https://doi.org/10.1016/j.ijhydene.2017.02.053
Marrink, S. J., Risselada, H. J., Yefimov, S., Tieleman, D. P., & De Vries, A. H. (2007). The MARTINI force field: Coarse grained model for biomolecular simulations. Journal of Physical Chemistry B, 111(27), 7812–7824. https://doi.org/10.1021/jp071097f
Marrink, S. J., & Tieleman, D. P. (2013). Perspective on the martini model. Chemical Society Reviews, 42(16), 6801–6822. https://doi.org/10.1039/c3cs60093a
Marrink, S. J., Vries, A. H. De, & Mark, A. E. (2004). Coarse Grained Model for Semiquantitative Lipid Simulations. 750–760.
Montoya-Villegas, K., Navarro-Félix, R. ., Rejón-Garcia, L., Silva-Carillo, C., Trujillo-Navarrete, B., Lin-Ho, S. ., & Reynoso-Soto, E. . (2020). Synthesis of Au-TiO2 nanoparticles as sensors of 3-mercaptopropionic acid. Revista Mexicana De Ingenieria Quimica, 19(941–952), 97–104.
Núñez-Delgado, C., Luna-Flores, A., Conde-Hernández, L. A., Flores-Aquino, E., Romero-López, A., & Tepale, N. (2023). Biosynthesis of gold nanoparticles using the aqueous extract of Hippocratea excelsa root bark. Antioxidant and photocatalytic evaluation. Revista Mexicana De Ingeniería Química, 22(IA2367).
Owen, D. M. (2014). Methods in membrane lipids: Second edition. Methods in Membrane Lipids: Second Edition, 1232, 1–327. https://doi.org/10.1007/978-1-4939-1752-5
Pizzirusso, A., De Nicola, A., & Milano, G. (2016). MARTINI Coarse-Grained Model of Triton TX-100 in Pure DPPC Monolayer and Bilayer Interfaces. Journal of Physical Chemistry B, 120(16), 3821–3832. https://doi.org/10.1021/acs.jpcb.6b00646
Pronk, S., Páll, S., Schulz, R., Larsson, P., Bjelkmar, P., Apostolov, R., Shirts, M. R., Smith, J. C., Kasson, P. M., Van Der Spoel, D., Hess, B., & Lindahl, E. (2013). GROMACS 4.5: A high-throughput and highly parallel open-source molecular simulation toolkit. Bioinformatics, 29(7), 845–854. https://doi.org/10.1093/bioinformatics/btt055
Ramacharyuly, P.V.R.K; Muhammad, Raeesh; Kumar, Praveen J.; Prasad, G. K. (2015). Iron Phthalocyanine Modified Mesoporous Titania Nanoparticles for Photocatalytic Activity and CO2 Capture Applications. https://doi.org/10.1039/C5CP03576G
Ramalingam, V. (2019). Multifunctionality of gold nanoparticles: Plausible and convincing properties. Advances in Colloid and Interface Science, 271, 101989. https://doi.org/10.1016/j.cis.2019.101989
Rawal, I., & Kaur, A. (2013). Sensors and Actuators A: Physical Synthesis of mesoporous polypyrrole nanowires / nanoparticles for ammonia gas sensing application. Sensors & Actuators: A. Physical, 203, 92–102. https://doi.org/10.1016/j.sna.2013.08.023
Shaalan, M., Saleh, M., & El-mahdy, M. (2016). Recent progress in applications of nanoparticles in fish medicine: A review. Nanomedicine: Nanotechnology, Biology, and Medicine, 12(3), 701–710. https://doi.org/10.1016/j.nano.2015.11.005
Si, K. J., Chen, Y., Shi, Q., & Cheng, W. (2018). Nanoparticle Superlattices: The Roles of Soft Ligands. https://doi.org/10.1002/advs.201700179
Souza, L. M. P., Nascimento, J. B., Romeu, A. L., Estrada-López, E. D., & Pimentel, A. S. (2018). Penetration of antimicrobial peptides in a lung surfactant model. Colloids and Surfaces B: Biointerfaces, 167, 345–353. https://doi.org/10.1016/J.COLSURFB.2018.04.030
Taylor, P., Gunsteren, W. F. Van, & Berendsen, H. J. C. (2007). A Leap-frog Algorithm for Stochastic Dynamics A LEAP-FROG ALGORITHM FOR STOCHASTIC DYNAMICS. May 2013, 37–41.
Vaisey, G., Banerjee, P., North, A. J., Haselwandter, C. A., & Mackinnon, R. (2022). Piezo1 as a force-through-membrane sensor in red blood cells. ELife, 11, 1–21. https://doi.org/10.7554/ELIFE.82621
Velasco-Rodríguez, V., Cornejo-Mazon, M., Flores-Flores, J. O., Gutierrez-Lopez, G. F., & Hernandez-Sanchez, H. (2012). Preparation and properties of alpha-lipoic acid-loaded chitosan nanoparticles. Revista Mexicana De Ingenieria Química, 11(1), 155–161.
Wassenaar, T. A., Ingólfsson, H. I., Böckmann, R. A., Tieleman, D. P., & Marrink, S. J. (2015). Computational lipidomics with insane: a versatile tool for generating custom membranes for molecular simulations. https://doi.org/10.1021/acs.jctc.5b00209
Wong, K., Chen, C., Wei, K., Roy, V. A. L., & Chathoth, S. M. (2015). Diffusion of gold nanoparticles in toluene and water as seen by dynamic light scattering. Journal of Nanoparticle Research, 17(3). https://doi.org/10.1007/s11051-015-2965-x
Zimbone, M., Calcagno, L., Messina, G., Baeri, P., & Compagnini, G. (2011). Dynamic light scattering and UV-vis spectroscopy of gold nanoparticles solution. Materials Letters, 65(19–20), 2906–2909. https://doi.org/10.1016/j.matlet.2011.06.054