HaoranHuang

icon location Bioinformatics master student in KU Interested in Deep Generative Models, Computational Biology

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How to calculate the binding energy from multimer complexes made by Alphafold2

You can check GROMACS

How to calculate the binding energy from multimer complexes made by Alphafold2

I have used GROMACS to calculate the binding energy for the output PDB format from alphafold2(colab version before alphafold-multimer existed), and now I am trying to use alphafold-multimer model to...