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I will perform MD simulations of modified proteins and ligand complexes
Associate Professor of Physical Chemistry
I am Ephriem Mengesha, a PhD in Physical Chemistry and Associate Professor with 15+ years of research and teaching experience. I provide freelance services in computational chemistry, molecular dockin...
About this Gig
I provide professional molecular dynamics (MD) simulations using Schrödinger Maestro (Desmond) for proteins, proteinligand complexes, and covalently modified proteins. My services include system preparation, simulation setup, production MD runs, and comprehensive trajectory analysis (RMSD, RMSF, Radius of Gyration, SASA, hydrogen bonds, secondary structure, and more). You'll receive publication-quality figures, simulation files, and a clear scientific report to support your research or product development.
My Portfolio
FAQ
What information do you need to start the project?
I typically need the protein structure (PDB file or PDB ID), ligand structure (if applicable), details of any covalent modifications or mutations, your research objectives, and the desired simulation length. If you are unsure, I can help determine the best setup.
Can you simulate chemically modified proteins or covalent protein–ligand complexes?
Yes. I can model covalently modified proteins.
What will I receive at the end of the project?
You will receive the simulation input and output files, trajectory files, publication-quality analysis plots (such as RMSD, RMSF, Rg, SASA, and secondary structure), and a concise report explaining the results and comparing the structural stability of your systems.
