Umbrella Sampling for Free Energy Calculations (PMF Analysis) | GROMACS Tutorial Part 10
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YouTubeDr. H Ismail
Umbrella Sampling for Free Energy Calculations (PMF Analysis) | GROMACS Tutorial Part 10
Welcome to Part 8 of the GROMACS Tutorial Series! In this advanced tutorial, we focus on Umbrella Sampling—a powerful method to calculate free energy profiles along a defined reaction coordinate (e.g., ligand unbinding, domain movement, etc.) using GROMACS. 🧪 This tutorial is ideal for researchers and students working in computational ...
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