One of our major ongoing interests is in understanding the thermodynamics of phase separation in lipid bilayers. We developed a novel method for computing the free energy landscape for phase separation using molecular dynamics simulations, which we have continued refining and are beginning to apply to more complex biological systems.

Publications in this area:

  • Poruthoor, A. J, Sharma, A., and Grossfield, A. Understanding the free-energy landscape of phase separation in lipid bilayers using molecular dynamics. Biophysical J. (2023), 122, 1-16, pdf
  • Poruthoor, A. J., Stallone, J. J., Miaro, M., Sharma, A., and Grossfield, A., System size effects on the free energy landscapes from molecular dynamics of phase-separating bilayers, 2024, 161:145101. doi: 10.1063/5.0225753, pdf