Ehsaneh Khodadadi

This study uses Dry MARTINI simulations to investigate how cholesterol affects the structure and dynamics of curved lipid vesicles, finding increased membrane thickness and altered lipid behavior with higher cholesterol concentrations.

This study uses molecular dynamics simulations to show how cholesterol concentration and membrane curvature affect the structure and dynamics of liposomes composed of DOPC and cholesterol.

This study uses microsecond MD simulations and FEP to analyze nucleotide binding and conformational dynamics of PCAT1, revealing Mg2+ and substrate-dependent stabilization mechanisms.

This study uses molecular dynamics simulations to show that CHS concentration affects mGluR2's structural stability and conformational dynamics in micelle and bilayer environments.

This study uses molecular dynamics simulations to investigate how cholesterol affects planar and curved lipid bilayers, revealing geometry-dependent structural and dynamic changes.