I will perform molecular dynamics simulations for membranes and proteins

S
shuzong
S
shuzong
MDSimHub

About this gig

I specialize in Transmembrane MD Simulations using GROMACS. Whether you are studying small molecules, proteins, or nanoparticles interacting with cell membranes, I can provide robust simulations and insightful analysis.

My Services Include:

  • Membrane Disruption Analysis: Tracking how molecules (like SNAPP) embed, penetrate, or alter lipid bilayers.
  • Transmembrane Channels: Simulating small molecules or proteins passing through channels or via membrane fluctuations.
  • Atomic-Level Tracking: Detailed analysis of structural changes and interactions between molecules and cell membranes.

What You Will Get:

  • Well-equilibrated GROMACS simulation trajectories.
  • High-quality rendered graphics and visualizations of the simulation process.
  • Standard quantitative data analysis (RMSD, RMSF, H-bonds, etc.).

️ Please message me before placing

Get to know MDSimHub

MDSimHub

MD DFT Simulation Expert

  • FromChina
  • Member sinceMay 2026
  • Avg. response time1 day
  • Languages

    English
As a Ph.D. researcher in computational chemistry and materials science with over 5 years of dedicated experience, I provide professional, high-quality molecular simulation services. My expertise spans across both Molecular Dynamics (MD) and Density Functional Theory (DFT). I am proficient in constructing and analyzing complex systems, ranging from polymers and composite membranes to functionalized metal clusters and MOFs. I utilize industry-standard software including GROMACS, LAMMPS, CP2K, ORCA, VASP, and Gaussian to deliver precise results.