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Because this software energy (scoring) function, similarly to others used in computational docking, is usually not enough to discriminate the correct docking pose from other poses48, the 100 top-ranking possible ligand positions were generated by the Vina software, and the best one was chosen according to the biochemical rationales.
For the simulations with multiple copies of CBZ bound, the starting positions were generated by manually positioning two, three, or four molecules of CBZ in the active site so that no steric clashes were introduced.
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Using IGS orbits and precise clocks for the GPS satellites the positions are generated by the combination of code derived positions and phase derived position differences.
A second alignment of 9,745 positions was generated by removing potential compositional bias with BMGE [ 36].
These tonalities which occupied a mid-crustal position were generated by partial melting of lower crust.
One hundred alternative conformations of each hemoglobin mutant at position 122β position were generated by the program.
The beam-shaping assembly for boron neutron capture therapies with a compact accelerator-driven subcritical neutron multiplier was designed so that an epithermal neutron flux of 1.9×109 cm−2 s−1 at the treatment position was generated by 5 MeV protons in a beam current of 2 mA.
Note that GCF has a maximum corresponding to Speaker 1 position, and that other peaks (ghosts), exceeding that in Speaker 2 position, are generated by constructive interference.
Final position coordinates were generated by BirdTracker (BAS).
A final alignment of 13,199 single-nucleotide polymorphism positions was generated and analyzed by using the neighbor-joining method with a Tamura-Nei evolutionary model (www.megasoftware.net/mega_papers.php).php
The method has a large radius of convergence and is able to refine the coarse component positions in the assembly that were generated by the IQP method.
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CEO of Professional Science Editing for Scientists @ prosciediting.com