Data Science Masterclass

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About Course

About Course

MD Simulation course will give you Insights into Computational Biophysics and will highlight this powerful computational technique by providing hands-on practical experience. You will learn how to perform batch docking of protein with a number of ligands and also model a biological molecule such as a particular protein-ligand complex, solvate the complex, run minimization, equilibration, and run protein-ligand MD simulation, and analyze the MD simulation results.

You will learn in a better way as you will perform the tasks on your own computer systems. The program is designed to learn Molecular Docking & MD Simulation by performing it on your own with assignments so that you learn it in a better way.

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What Will You Learn?

  • Participants will learn how to carry out the process of Molecular Docking & MD Simulation on the cloud from start to end on their own for their own molecules.
  • Participants will be able to analyze all the results generated during the process of MD Simulation with GROMACS.
  • Participants will learn how different types of the complex can be used to carry out the process of MD Simulation & carry out their analysis.
  • Participants will be able to write their own report by analyzing MD Simulation Graphs & Results.