Research Topics

• Evaluating statistical convergence of molecular solutes embedded in lipid bilayers.
• Accelerating convergence in simulations of molecular solutes embedded in lipid bilayers.
• Solvation and binding of the bacterial membrane enzyme PagP by detergents and lipids.
• Early pore-opening kinetics of the bacterial Mg2+ transport system CorA.
• Self-aggregation of detergents.
• Describing unfolded states as structural ensembles.
  

Detailed Methodological Testing

A Method to Combine OPLS Protein with Berger Lipids

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