I had a question about the amino acid sequences that are folded by I-TASSER. The question is whether "MD simulation " is done on the final sequence folded by " I-TASSER" or should it be done later by the user?
MD simulation on folded protein
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Re: MD simulation on folded protein
All I-TASSER final models were refined by our Fragment-Guided Molecular Dynamics (FG-MD) algorithm (https://zhanggroup.org/FG-MD/). You can further refine it by the conventional MD.