Abstract
n this presentation the broad ensemble generator (BEG) software is introduced, designed to efficiently construct diverse all-atom protein structures from sequence information alone. The BEG software utilizes a build-up approach where the protein chain is grown one amino acid at a time. All generated structures follow random spatial patterns by varying phi-psi angles along the peptide bonds. There is also an option present to allow changes of amino-acid side-chain torsions. Only steric interactions are currently included, but the method is flexible enough to allow for other interaction types. The application of BEG to generating structural ensembles for intrinsically disordered proteins is also presented.
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