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In order to overcome this limitation, time-resolved X-ray crystallography allows determination of many conformations at 1 picosecond intervals.
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A protein at ambient temperatures explores many conformations, so that the solvent accessibility of Ca2+-ions computed for the crystal structure may not reflect its true accessibility.
Similarly to predictive tasks, in molecular dynamics simulations typically many conformations are generated, in the range of thousands, by taking snapshots of the trajectory at given time intervals.
Many conformations will vanish in the process of deformation.
However, peptides can have many conformations due to their thermal fluctuation.
Starting at a low temperature, parts of the enzyme were seen to shift from having a single conformation to many conformations above a threshold temperature.
42, 43 The problem is computationally expensive because so many conformations are possible.
The loop likely samples many conformations, some of which may impose additional hindrance on Rap binding.
Many conformer generators are focused on reproducing bioactive conformations.
Analyses of protein-bound ligand crystal structures have reportedly shown that many of them do not even adopt the conformations at local minima of their potential energy surfaces (local minimum conformations).
Prion proteins, many of which are intrinsically disordered, can adopt multiple conformations, at least one of which has the capacity to self-template.
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