MD simulation on folded protein

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a.afgar
Posts: 1
Joined: Sun Nov 14, 2021 8:02 am

MD simulation on folded protein

Post by a.afgar »

Hi, Dear;
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?
best regards
ali afgar
xiaogenz
Posts: 157
Joined: Sun Apr 25, 2021 12:02 am

Re: MD simulation on folded protein

Post by xiaogenz »

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.
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