Protein 3D structure prediction pipeline
We seek a classifier that will predict if a protein sequence (+3D coordinates) will fold.
Fast contact map threading for fold recognition
This is a physics-based programme that uses predictions of protein structure generated by the ESMFold API, and improves upon their stability using physics-based methods, chiefly meta-dynamics which attempts to mimic the role of ATP/chaperone proteins in helping proteins reach their lowest-energy conformations.
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