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Results tagged with simulations
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user 155058
The imitation of a real-world process using an analogous process that is easier to control and experiment with.
3
votes
2
answers
514
views
Molecular Dynamics vs energy minimization in protein folding
(assuming that a dipeptide would fold)
Stated in other words, do MD simulations (enough steps+ perfect forcefields + no cutt offs) lead to minimum free energy? …
- 71
0
votes
1
answer
130
views
Molecular dynamic simulation of proteins
Is molecular dynamics simulations actually run on a single protein molecule to give the structure with minimum Gibbs free energy or does it consider many molecules at once (what I think ensemble is meant …
- 71